data_2kks_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 2kks _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 ' 1' ' ' MET . . . . . 0.483 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.455 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.635 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.683 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.479 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.805 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.621 ' HG3' HE21 ' A' ' 62' ' ' GLN . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 95.3 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' LEU . 10.3 p30 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.682 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.483 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 5' ' ' THR . 92.5 mt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.6 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.663 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.663 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 9' ' ' MET . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.584 ' CB ' ' HA ' ' A' ' 16' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.488 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.484 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.459 ' HA2' HD21 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.61 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.459 HD21 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.6 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.453 HD22 ' HE2' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 5' ' ' THR . 96.0 mt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.453 HG23 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.573 ' HG1' ' HB ' ' A' ' 134' ' ' ILE . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.457 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.402 ' HE2' HD23 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.46 ' NH2' HD13 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HB3' HD23 ' A' ' 77' ' ' LEU . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.583 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.549 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.739 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 37' ' ' ARG . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.46 HD13 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.44 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.453 ' HG3' HG23 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 2' ' ' ILE . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.573 ' HB ' ' HG1' ' A' ' 3' ' ' THR . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.666 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.605 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.5 mm100 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.461 ' HE1' ' SG ' ' A' ' 118' ' ' CYS . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HA ' HD11 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.493 ' SG ' ' HE3' ' A' ' 57' ' ' MET . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.584 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD12 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.564 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.417 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.493 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.573 ' HA ' HD11 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HG3' HD12 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.424 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.403 ' HG ' ' HB ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.527 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.482 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.403 ' HB ' ' HG ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.461 ' SG ' ' HE1' ' A' ' 9' ' ' MET . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.511 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.584 HG22 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.666 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.485 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 5' ' ' THR . 83.3 mt . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.54 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.519 HG23 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.456 HG22 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.585 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 16' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.741 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.602 ' HE1' ' HG2' ' A' ' 62' ' ' GLN . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.555 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.602 ' HG2' ' HE1' ' A' ' 57' ' ' MET . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.561 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.741 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.43 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.535 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.535 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.447 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.449 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.402 ' SG ' HG23 ' A' ' 108' ' ' ILE . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.449 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.54 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HG3' HD11 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.489 HD11 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HZ3' ' A' ' 7' ' ' LYS . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' HD21 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.48 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG23 HD13 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 41' ' ' ARG . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.678 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.751 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.751 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 69' ' ' MET . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.489 HD21 HD11 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.402 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.402 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.515 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.486 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 9' ' ' MET . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 HD21 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.519 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.536 HG21 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.706 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.706 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.519 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.528 HD21 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.528 ' HZ3' HD21 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.47 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.735 ' HB1' HG22 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.542 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.421 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.47 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.735 HG22 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.425 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.403 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.721 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.565 HD12 HD11 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.599 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.55 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 HG23 HD13 ' A' ' 77' ' ' LEU . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.609 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HG2' HD12 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HZ3' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.55 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.466 ' HE1' HD12 ' A' ' 103' ' ' LEU . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.556 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 15.5 m170 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.599 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 76' ' ' MET . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.565 HD11 HD12 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.728 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.721 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.621 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.493 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.491 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.463 ' HE2' HD12 ' A' ' 4' ' ' LEU . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.566 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.62 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.591 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.754 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HB2' HD23 ' A' ' 77' ' ' LEU . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.591 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 53' ' ' GLU . 18.5 m-70 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.754 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 76' ' ' MET . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.472 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HD11 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.705 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.705 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.511 ' HB2' HD13 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.487 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.621 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 5' ' ' THR . 95.8 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.525 ' HE1' ' HB3' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.479 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.499 ' HG1' ' HB ' ' A' ' 134' ' ' ILE . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.675 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.675 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.425 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.425 ' HE2' ' HA ' ' A' ' 9' ' ' MET . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.604 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.661 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.525 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.564 ' NH1' HG21 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG21 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG3' HE21 ' A' ' 62' ' ' GLN . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.412 HE21 ' HG3' ' A' ' 57' ' ' MET . 80.2 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.661 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.596 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.48 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.486 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.515 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.417 ' HG3' HG21 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.499 ' HB ' ' HG1' ' A' ' 3' ' ' THR . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.55 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.1 mm100 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.465 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.446 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.609 HD12 HD11 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.502 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' O ' HD23 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.741 HD22 ' HA ' ' A' ' 50' ' ' GLN . 18.6 t-20 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.709 HD21 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HA ' HD22 ' A' ' 47' ' ' ASN . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 93' ' ' GLU . 19.9 m170 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.709 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.561 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.637 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.611 ' HG2' HG21 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.566 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.441 ' HA ' HD13 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.524 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.611 HG21 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.566 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.414 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.526 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.548 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.784 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.47 ' HE3' HD23 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE1' ' HA ' ' A' ' 9' ' ' MET . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.495 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HE3' ' A' ' 57' ' ' MET . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.693 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.51 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.671 ' HB3' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.534 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.465 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.434 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HB2' ' A' ' 53' ' ' GLU . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.6 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.471 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' HG21 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.693 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.525 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.494 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.496 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.47 HD23 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.449 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt . . . . . 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.524 ' HG3' HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.494 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.653 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.653 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.422 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 9' ' ' MET . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.55 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.567 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.515 ' HG2' HG22 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.567 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.477 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.586 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 53.2 m170 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' HD21 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.621 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.511 ' HG2' HD13 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.522 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.555 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.442 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.555 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.511 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.494 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.524 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.532 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.483 ' HG3' HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.405 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.62 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.485 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.441 ' HE1' ' SG ' ' A' ' 118' ' ' CYS . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 HD21 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.421 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 46' ' ' ASN . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.448 ' N ' HD22 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.561 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.486 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.446 ' HB3' HD11 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.445 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.506 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' HB3' HD23 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.463 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.463 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.876 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.441 ' SG ' ' HE1' ' A' ' 9' ' ' MET . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.457 ' HG ' ' HG ' ' A' ' 106' ' ' LEU . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.876 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.707 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.405 ' HB2' HG23 ' A' ' 5' ' ' THR . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.62 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 HD22 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.552 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.588 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HB3' HD23 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.501 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG22 HD13 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.46 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' HG ' ' A' ' 51' ' ' SER . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.429 ' HG ' ' C ' ' A' ' 50' ' ' GLN . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.788 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.588 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.552 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.455 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.925 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.527 HD22 HD22 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.844 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.447 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 5' ' ' THR . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.556 HD22 HG23 ' A' ' 5' ' ' THR . 91.4 mt . . . . . 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.527 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 HD12 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.531 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.519 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.606 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.729 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.709 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.577 ' HB3' HD22 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.519 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.502 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.709 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD12 HD12 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 5' ' ' THR . 28.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.509 ' HG3' HD11 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.508 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.619 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.7 mm100 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.63 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.474 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.433 ' O ' HD21 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.44 ' HB3' HD12 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.405 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.461 ' O ' HG21 ' A' ' 66' ' ' VAL . 24.1 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.527 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 66' ' ' VAL . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 9.7 p30 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.495 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.474 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.64 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.416 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.63 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.509 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.43 HD23 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.473 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.435 HD13 ' NH1' ' A' ' 37' ' ' ARG . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.465 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.598 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.542 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.551 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.434 ' HA ' HD21 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.647 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.647 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.705 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.467 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.705 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.522 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.542 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.514 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 5' ' ' THR . 62.1 mt . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.444 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.439 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.565 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.436 ' HE2' ' SG ' ' A' ' 118' ' ' CYS . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.669 HH22 HD23 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.582 ' HH ' ' HG3' ' A' ' 69' ' ' MET . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.503 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' MET . . . . . 0.582 ' HG3' ' HH ' ' A' ' 43' ' ' TYR . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.536 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.752 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.436 ' SG ' ' HE2' ' A' ' 9' ' ' MET . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.43 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.779 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.779 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 5' ' ' THR . 95.7 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.484 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.52 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.491 ' NH1' ' HH ' ' A' ' 43' ' ' TYR . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HH ' ' NH1' ' A' ' 41' ' ' ARG . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' HG21 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.452 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.522 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.51 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.499 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.455 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.635 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.635 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.479 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.628 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.683 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.43 HD12 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.51 ' HB3' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.455 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.522 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.683 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.805 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.479 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.805 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.621 ' HG3' HE21 ' A' ' 62' ' ' GLN . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.642 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 95.3 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.436 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.436 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.51 HD21 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 27' ' ' LEU . 10.3 p30 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.628 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.447 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.466 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.545 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . 0.682 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.466 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.486 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.682 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.403 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.483 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.528 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.458 HD21 HG23 ' A' ' 5' ' ' THR . 92.5 mt -69.47 167.33 16.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -76.62 57.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.26 0.552 . . . . 0.0 111.045 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.8 m80 60.45 44.4 12.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.548 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.0 m80 68.47 -166.26 0.19 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.623 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -62.9 -29.78 71.03 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.943 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 t60 61.05 99.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.745 0.653 . . . . 0.0 112.553 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -167.75 120.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.085 179.681 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.6 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.663 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.663 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.506 ' HE2' ' HA ' ' A' ' 9' ' ' MET . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.513 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.584 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.567 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.584 ' CB ' ' HA ' ' A' ' 16' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.505 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.546 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.494 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.494 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.427 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.488 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.484 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.459 ' HA2' HD21 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.505 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.539 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.496 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.496 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.45 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.413 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.61 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.459 HD21 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.417 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.539 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.417 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.495 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.61 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.6 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.453 HD22 ' HE2' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.601 HD23 HG22 ' A' ' 5' ' ' THR . 96.0 mt -80.51 -171.43 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.41 122.29 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.296 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -157.44 174.16 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -58.63 147.45 32.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 81.7 m-70 -79.55 152.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.107 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 38.2 m80 74.72 173.9 0.26 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.109 0.88 . . . . 0.0 110.326 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 22.1 m80 70.26 116.18 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.801 0.688 . . . . 0.0 111.098 -174.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.114 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.453 HG23 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.573 ' HG1' ' HB ' ' A' ' 134' ' ' ILE . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.457 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.402 ' HE2' HD23 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.533 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.618 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.46 ' NH2' HD13 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.618 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.486 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.549 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.411 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.477 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 ' HB3' HD23 ' A' ' 77' ' ' LEU . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.583 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.583 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.549 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.739 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.739 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 37' ' ' ARG . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.481 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.446 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.434 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.529 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.417 ' HA ' HD11 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.529 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.481 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.434 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.46 HD13 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.44 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.415 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' HG3' HG23 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 2' ' ' ILE . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.573 ' HB ' ' HG1' ' A' ' 3' ' ' THR . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.402 HD23 ' HE2' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.49 177.7 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 72.76 159.97 0.22 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -179.91 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.329 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -143.88 21.58 1.78 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 111.486 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -112.61 151.55 29.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m80 61.39 -162.82 0.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 73.1 m80 72.09 -178.65 0.21 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.797 178.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.666 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.425 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.534 HG22 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.605 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.605 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.5 mm100 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.461 ' HE1' ' SG ' ' A' ' 118' ' ' CYS . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.441 ' HA ' HD11 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD12 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.527 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.67 ' HB3' ' HB2' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.493 ' SG ' ' HE3' ' A' ' 57' ' ' MET . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.584 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD12 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.463 HD12 HD23 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' HD2' ' OE2' ' A' ' 140' ' ' GLU . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.429 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.536 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.584 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.564 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.592 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.573 HD11 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.417 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.592 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.417 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.493 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.573 ' HA ' HD11 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.489 ' HG3' HD12 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.506 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.506 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.646 ' HZ1' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.414 ' HZ2' ' HB2' ' A' ' 142' ' ' HIS . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.434 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.424 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.403 ' HG ' ' HB ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.527 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HA ' HG22 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.482 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.511 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.424 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 ' HB ' ' HG ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.678 ' HG ' HD12 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.461 ' SG ' ' HE1' ' A' ' 9' ' ' MET . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.511 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.584 HG22 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.482 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.666 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.425 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.485 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.534 ' HD2' HG22 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.491 HD22 HG22 ' A' ' 5' ' ' THR . 83.3 mt -105.82 -174.4 2.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.861 ' HG3' ' H ' ' A' ' 142' ' ' HIS . 3.8 tp10 -58.36 144.14 42.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.206 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -71.0 -10.43 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.767 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.861 ' H ' ' HG3' ' A' ' 140' ' ' GLU . 15.4 m170 -88.01 -3.21 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.479 0.657 . . . . 0.0 110.04 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.506 ' HD2' ' HB3' ' A' ' 140' ' ' GLU . 66.5 m-70 -111.52 99.43 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -76.32 23.22 0.15 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 143' ' ' HIS . 65.5 t-80 68.49 127.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.413 0.685 . . . . 0.0 111.734 178.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.297 176.454 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.54 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.519 HG23 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.456 HG22 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.521 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.585 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.585 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.527 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.527 ' CB ' ' HA ' ' A' ' 16' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.43 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.524 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.741 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.535 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.521 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.476 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.524 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.601 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.601 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.447 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.602 ' HE1' ' HG2' ' A' ' 62' ' ' GLN . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.555 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.495 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.602 ' HG2' ' HE1' ' A' ' 57' ' ' MET . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.561 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.741 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.561 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.43 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.535 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.535 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.493 ' HB2' HD13 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.507 HD13 HD13 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.449 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.402 ' SG ' HG23 ' A' ' 108' ' ' ILE . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.446 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.449 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.493 HD13 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.54 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.441 HD12 HG22 ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . 0.462 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.62 146.6 29.94 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 45.49 21.32 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.828 1.251 . . . . 0.0 113.342 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -123.12 87.26 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.05 -0.406 . . . . 0.0 110.458 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.614 ' HA ' ' HD3' ' A' ' 136' ' ' LYS . 32.4 m80 -100.29 46.16 0.96 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.12 -176.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.4 m80 61.86 85.96 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 -168.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -159.38 76.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.24 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 67.89 153.09 0.09 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.315 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.227 178.393 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HG3' HD11 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.489 HD11 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.481 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.46 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HZ3' ' A' ' 7' ' ' LYS . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.483 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' OE2' ' HB3' ' A' ' 81' ' ' HIS . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.614 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD21 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 ' HB3' HD21 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.48 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.48 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG23 HD13 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 41' ' ' ARG . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.678 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.678 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.751 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.751 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.411 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG22 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.458 ' HE1' ' HB2' ' A' ' 69' ' ' MET . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.461 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.461 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.431 HD21 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.512 ' HA2' HD12 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.43 ' HB3' HD21 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.614 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.482 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.55 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.55 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.451 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.46 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.512 HD12 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.489 HD21 HD11 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.466 HD13 HD12 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.416 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.402 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.402 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.515 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.439 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.41 -166.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 68.34 -170.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.27 63.87 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.439 ' CE1' ' HB3' ' A' ' 138' ' ' GLU . 0.1 OUTLIER -60.35 136.84 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.104 -174.342 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -140.27 110.33 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.989 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -147.39 144.14 28.48 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.059 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.4 t60 49.37 96.08 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.825 1.328 . . . . 0.0 113.532 167.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.243 172.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.486 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.428 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.486 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.428 ' HE3' ' HA ' ' A' ' 9' ' ' MET . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.463 HD12 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.415 HD12 HD21 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.519 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.536 HG21 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.706 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.706 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.463 ' HG2' HD12 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG21 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.519 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.489 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.528 HD21 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.528 ' HZ3' HD21 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.479 ' HA2' HD12 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.47 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.428 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.433 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.569 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.526 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.569 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.735 ' HB1' HG22 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.542 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.542 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.421 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.415 HD21 HD12 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.47 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.437 HD11 ' HB2' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.465 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.465 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.421 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.735 HG22 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.425 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.1 -172.3 0.53 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 2.0 pt-20 -74.48 87.06 2.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.749 0.785 . . . . 0.0 111.45 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -85.21 110.21 18.87 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 167.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -68.44 -2.17 8.08 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -165.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 37.3 m80 67.36 177.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.964 0.888 . . . . 0.0 112.405 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -151.88 114.4 4.58 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -45.86 109.5 0.19 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -166.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.023 173.043 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.485 ' HG3' HD12 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.403 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.721 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.632 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.575 ' HA ' ' HB1' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.565 HD12 HD11 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.599 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.575 ' HB1' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.574 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.476 HD12 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.55 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HG2' HG23 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.523 ' HB3' HD12 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 HG23 HD13 ' A' ' 77' ' ' LEU . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.609 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.574 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.483 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.483 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HG2' HD12 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.58 ' HZ3' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.55 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG23 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.466 ' HE1' HD12 ' A' ' 103' ' ' LEU . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.523 HD12 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.454 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.556 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 15.5 m170 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.599 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.609 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 76' ' ' MET . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.556 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.565 HD11 HD12 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.728 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.485 HD12 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.429 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.544 ' HB2' HG23 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.721 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt -78.45 -179.69 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.39 164.45 14.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 69.78 104.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.706 0.629 . . . . 0.0 109.719 -176.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.51 21.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.898 0.38 . . . . 0.0 111.906 -173.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.52 89.38 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -119.81 29.92 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.389 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 82.1 t60 74.54 19.56 2.64 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 123.945 0.778 . . . . 0.0 110.234 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.538 175.41 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.621 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.493 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.664 HG22 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.583 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.583 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.463 ' HE2' HD12 ' A' ' 4' ' ' LEU . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.566 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.62 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.591 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.548 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.548 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.634 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.459 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.612 HD11 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.591 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.754 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.421 ' HB2' HD23 ' A' ' 77' ' ' LEU . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.591 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.491 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.459 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.52 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.447 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.447 ' CD2' ' HB2' ' A' ' 53' ' ' GLU . 18.5 m-70 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.612 ' HB3' HD11 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.754 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.411 HG22 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' HE2' ' HB3' ' A' ' 76' ' ' MET . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.634 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.417 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.417 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.472 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.483 HD13 HD11 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.5 HD11 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.705 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.705 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.461 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.5 ' HB3' HD11 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.511 ' HB2' HD13 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.481 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.487 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.621 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.463 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.664 ' HE3' HG22 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.514 HD22 HG23 ' A' ' 5' ' ' THR . 95.8 mt -67.12 164.88 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.5 ' O ' ' HB3' ' A' ' 141' ' ' HIS . 6.7 tp10 -73.14 148.75 43.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.5 ' HB3' ' O ' ' A' ' 140' ' ' GLU . 55.9 t-80 75.04 170.78 0.28 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.916 0.76 . . . . 0.0 109.012 -169.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 141' ' ' HIS . 51.9 t-80 75.99 -58.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -64.87 137.56 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.918 0.39 . . . . 0.0 110.735 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.48 174.09 10.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.724 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -125.24 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.378 -178.258 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.525 ' HE1' ' HB3' ' A' ' 36' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.479 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.499 ' HG1' ' HB ' ' A' ' 134' ' ' ILE . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.51 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.675 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.675 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.425 ' HA ' ' HE2' ' A' ' 12' ' ' MET . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.425 ' HE2' ' HA ' ' A' ' 9' ' ' MET . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.434 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.604 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.435 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.442 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.661 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.422 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.525 ' HB3' ' HE1' ' A' ' 1' ' ' MET . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.564 ' NH1' HG21 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG21 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.604 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.597 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.597 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.463 ' CE1' HD11 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.412 ' HG3' HE21 ' A' ' 62' ' ' GLN . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.526 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.526 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.403 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.412 HE21 ' HG3' ' A' ' 57' ' ' MET . 80.2 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.661 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.413 ' HB3' ' HE2' ' A' ' 71' ' ' LYS . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.4 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.408 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.596 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.596 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.438 ' HB1' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.48 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.585 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.501 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.486 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.486 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.481 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.438 ' HB2' ' HB1' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.515 ' HB3' ' HZ3' ' A' ' 115' ' ' LYS . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.417 ' HG3' HG21 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.499 ' HB ' ' HG1' ' A' ' 3' ' ' THR . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.412 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.44 -161.55 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.37 164.3 23.22 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 66.43 91.15 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.773 0.671 . . . . 0.0 109.91 -170.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -60.82 103.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -124.7 172.3 9.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.297 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.54 128.9 37.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -82.3 129.97 34.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.11 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.55 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.55 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.1 mm100 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.465 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD21 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.609 HD12 HD11 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.502 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' O ' HD23 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.741 HD22 ' HA ' ' A' ' 50' ' ' GLN . 18.6 t-20 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.709 HD21 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.741 ' HA ' HD22 ' A' ' 47' ' ' ASN . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' CE1' ' HB2' ' A' ' 93' ' ' GLU . 19.9 m170 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.534 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.709 ' HA ' HD21 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.405 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.566 ' HB3' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.534 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.561 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.561 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.637 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.419 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.611 ' HG2' HG21 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.637 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.566 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.501 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.441 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.441 ' HA ' HD13 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.524 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.414 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.611 HG21 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.566 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.43 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.414 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.414 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt -62.06 170.32 2.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.437 ' HA ' ' OE1' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -69.16 135.64 50.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.716 -175.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -87.34 50.53 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.007 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -60.24 131.61 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.674 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.09 -37.33 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.168 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -64.0 108.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -105.54 134.22 49.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.917 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.165 177.01 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.627 HD13 HD12 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.548 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.784 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.67 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.47 ' HE3' HD23 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE1' ' HA ' ' A' ' 9' ' ' MET . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.578 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.495 ' N ' HD21 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.436 ' SG ' ' HE3' ' A' ' 57' ' ' MET . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.567 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.693 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.51 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.671 ' HB3' HD12 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.548 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.534 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.465 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.6 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.434 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.434 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.419 ' HD2' ' HB2' ' A' ' 53' ' ' GLU . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.475 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.6 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.471 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.451 ' O ' HG21 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.693 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.405 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.51 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.671 HD12 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.441 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.548 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.525 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.486 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.494 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.474 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.627 HD12 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.525 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.41 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.496 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.526 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.47 HD23 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.449 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.821 ' HB3' ' HB3' ' A' ' 145' ' ' HIS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.784 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt -77.12 -156.87 0.08 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -77.97 75.89 4.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' HD2' ' O ' ' A' ' 143' ' ' HIS . 19.0 t60 -143.53 116.63 8.92 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.146 -175.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -76.99 105.84 8.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.443 -174.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.447 ' O ' ' HD2' ' A' ' 141' ' ' HIS . 1.7 t-80 70.74 165.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.428 1.08 . . . . 0.0 109.869 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 66.91 78.14 0.26 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.821 ' HB3' ' HB3' ' A' ' 138' ' ' GLU . 0.4 OUTLIER -104.07 72.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.561 179.362 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . 0.46 ' HB2' ' O ' ' A' ' 145' ' ' HIS . 13.0 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.517 -1.219 . . . . 0.0 108.434 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.524 ' HG3' HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.494 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.426 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.653 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.653 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.422 ' HA ' ' HE3' ' A' ' 12' ' ' MET . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.422 ' HE3' ' HA ' ' A' ' 9' ' ' MET . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.55 ' HB2' ' HB1' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.511 HD13 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.567 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.515 ' HG2' HG22 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.567 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.477 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.404 ' CD1' ' HE3' ' A' ' 69' ' ' MET . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.586 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.586 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 53.2 m170 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.484 ' HA ' HD21 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.621 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.511 ' HG2' HD13 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG21 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD13 HG21 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.522 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.467 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.467 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.555 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.442 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.555 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.421 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.421 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.469 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.475 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.511 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.511 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.475 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.469 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.494 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.524 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.532 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt -61.72 163.42 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.75 158.05 36.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.942 -175.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -91.07 84.15 5.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.922 0.868 . . . . 0.0 112.092 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -114.54 -4.82 12.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.483 172.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 152.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.245 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.64 119.06 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.096 0.474 . . . . 0.0 110.355 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -146.53 131.82 18.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.243 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.473 174.56 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HG3' HD11 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.62 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.485 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.441 ' HE1' ' SG ' ' A' ' 118' ' ' CYS . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.44 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.507 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD23 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.498 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.59 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.504 HD13 HD21 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.421 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.455 ' CD ' ' HE2' ' A' ' 142' ' ' HIS . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.427 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.427 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.44 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 46' ' ' ASN . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.448 ' N ' HD22 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.59 ' HA ' ' HA ' ' A' ' 22' ' ' ASN . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.561 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.486 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.446 ' HB3' HD11 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.445 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.506 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.52 ' HB2' ' HB2' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' HB3' HD23 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.427 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.463 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.463 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.422 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.876 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.506 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.441 ' SG ' ' HE1' ' A' ' 9' ' ' MET . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.457 ' HG ' ' HG ' ' A' ' 106' ' ' LEU . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.431 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.876 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.707 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.405 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.483 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.469 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.442 ' HZ3' ' CD ' ' A' ' 140' ' ' GLU . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.62 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt -60.99 153.03 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.442 ' CD ' ' HZ3' ' A' ' 136' ' ' LYS . 10.1 mm-40 -64.83 150.94 46.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -74.3 94.99 2.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.268 -166.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.455 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 3.0 m-70 -79.97 120.41 24.12 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 167.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -63.44 117.94 7.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.688 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 70.55 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.179 0.924 . . . . 0.0 111.773 -177.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -78.87 -35.43 43.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t60 . . . . . 0 C--O 1.241 0.644 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.636 173.42 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.538 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.406 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.527 HD22 HD22 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.552 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.588 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.501 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.474 ' HB3' HD23 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.501 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG22 HD13 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.462 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.462 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.788 HD22 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.46 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.517 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.429 ' C ' ' HG ' ' A' ' 51' ' ' SER . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.429 ' HG ' ' C ' ' A' ' 50' ' ' GLN . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.788 ' HB3' HD22 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.517 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.614 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.588 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.593 HD13 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.552 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.455 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.403 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.925 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.455 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.457 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.527 HD22 HD22 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.844 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.844 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.447 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.925 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.447 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.401 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.457 ' O ' ' HA ' ' A' ' 5' ' ' THR . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.556 HD22 HG23 ' A' ' 5' ' ' THR . 91.4 mt -84.27 157.27 21.61 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -111.4 120.28 41.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.546 0.689 . . . . 0.0 110.708 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -136.92 92.02 2.69 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -62.48 86.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.741 -169.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 50.19 30.4 4.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.659 0.784 . . . . 0.0 112.081 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . 0.48 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -146.37 106.74 4.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.48 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 46.6 m170 72.77 161.28 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.112 0.883 . . . . 0.0 110.327 -170.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.143 -177.152 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.413 HD12 HD12 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.531 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' HA ' ' O ' ' A' ' 136' ' ' LYS . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.404 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.61 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.586 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.61 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.607 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.631 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.464 ' HG ' HD13 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.459 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.519 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.467 ' HB2' HD12 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.459 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.606 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.606 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD13 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.577 HD22 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.729 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.729 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.709 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.577 ' HB3' HD22 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.507 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.434 ' HB3' HD23 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.447 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.519 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.631 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.607 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.476 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.476 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.502 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.709 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.474 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD12 HD12 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.414 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.414 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.528 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.457 ' HG ' HG23 ' A' ' 5' ' ' THR . 28.3 mt -101.04 -170.04 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.625 ' HG2' ' CD2' ' A' ' 145' ' ' HIS . 8.6 tp10 67.3 153.91 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.057 0.943 . . . . 0.0 113.22 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 -41.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.084 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -177.07 40.03 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -96.07 -5.12 41.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 70.06 100.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.807 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.625 ' CD2' ' HG2' ' A' ' 140' ' ' GLU . 5.8 p80 -115.04 58.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.406 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.751 -0.642 . . . . 0.0 110.138 177.518 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.509 ' HG3' HD11 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.619 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.619 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.7 mm100 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.459 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.63 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.474 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.461 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD11 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.405 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.519 ' HG2' HG23 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.508 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' HG2' HD23 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.433 ' O ' HD21 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.549 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.556 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.556 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.44 ' HB3' HD12 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.405 ' HA ' HD21 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.549 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.461 ' O ' HG21 ' A' ' 66' ' ' VAL . 24.1 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.527 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.527 ' HE2' ' HA ' ' A' ' 66' ' ' VAL . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.519 HG23 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 9.7 p30 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.495 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.474 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.497 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.44 HD12 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.64 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.64 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.416 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.63 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.471 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.509 HD11 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.401 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.43 HD23 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt -66.99 140.03 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.87 146.71 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.66 169.0 15.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.972 0.415 . . . . 0.0 110.939 177.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -60.14 122.88 15.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.87 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -124.03 91.71 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -73.07 113.09 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 67.85 138.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.608 -1.178 . . . . 0.0 112.973 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.806 168.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.435 HD13 ' NH1' ' A' ' 37' ' ' ARG . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.525 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.465 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.522 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.598 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.454 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.433 ' CD ' ' HE2' ' A' ' 142' ' ' HIS . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.542 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.551 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.551 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.434 HD21 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.434 ' HA ' HD21 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.647 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.647 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HB3' HD13 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.705 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.467 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.705 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.522 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.542 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.598 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.443 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.443 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.514 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 ' HB2' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . 0.514 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.487 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.434 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.578 HD22 HG23 ' A' ' 5' ' ' THR . 62.1 mt -65.68 146.13 55.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.12 152.4 19.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.208 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -98.47 142.53 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.433 ' HE2' ' CD ' ' A' ' 40' ' ' GLU . 16.6 m-70 -89.66 -46.1 8.87 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.092 0.472 . . . . 0.0 109.928 175.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.06 157.23 40.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.255 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.89 142.22 19.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.778 0.323 . . . . 0.0 111.085 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -127.94 -54.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.491 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.647 -175.591 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.444 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.565 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.565 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.436 ' HE2' ' SG ' ' A' ' 118' ' ' CYS . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.459 ' HB2' ' HB1' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.503 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' HB1' ' HB2' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' CD1' HD11 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.561 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.445 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.534 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.444 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.669 HH22 HD23 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.534 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.582 ' HH ' ' HG3' ' A' ' 69' ' ' MET . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.497 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.503 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.431 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.497 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 ' HA ' ' HE2' ' A' ' 69' ' ' MET . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.582 ' HG3' ' HH ' ' A' ' 43' ' ' TYR . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.536 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.405 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.405 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.505 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.752 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.425 HD11 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.436 ' SG ' ' HE2' ' A' ' 9' ' ' MET . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.45 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.43 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.779 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.779 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.518 HD21 HG23 ' A' ' 5' ' ' THR . 95.7 mt -74.06 -175.38 2.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -99.32 -2.92 35.2 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.339 0.59 . . . . 0.0 110.804 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.409 ' HD1' ' CD ' ' A' ' 40' ' ' GLU . 55.1 m80 -115.49 165.69 12.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.219 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -87.92 94.06 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -96.54 162.5 13.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 62.35 38.49 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.052 0.22 . . . . 0.0 110.71 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -76.21 78.64 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.778 0.799 . . . . 0.0 110.042 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.896 -176.172 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.52 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.597 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.597 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.541 ' HB1' ' HB1' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.52 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.491 ' NH1' ' HH ' ' A' ' 43' ' ' TYR . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.439 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' HH ' ' NH1' ' A' ' 41' ' ' ARG . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD12 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.436 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HB3' HD12 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' HG21 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG21 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.429 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD11 HG21 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.446 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.434 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.452 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.409 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.501 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.506 ' HA ' HD22 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.522 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . 0.522 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.514 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.509 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.51 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.427 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.536 ' OE2' ' HB3' ' A' ' 142' ' ' HIS . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.499 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt -68.09 176.36 2.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 141' ' ' HIS . 0.7 OUTLIER -79.45 169.21 18.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.444 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 52.5 m80 68.85 10.91 8.16 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.808 0.337 . . . . 0.0 110.701 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.536 ' HB3' ' OE2' ' A' ' 138' ' ' GLU . 2.6 m80 -148.04 -166.74 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.566 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -171.9 -41.67 0.02 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.436 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.89 129.04 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 t60 70.67 155.38 0.14 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.737 0.648 . . . . 0.0 110.68 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.162 176.611 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.652 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.449 ' CD2' ' HB1' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' ASP . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.685 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.498 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.828 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.649 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 20.2 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 62' ' ' GLN . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 p-10 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.54 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 5' ' ' THR . 92.5 mt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.611 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 37' ' ' ARG . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.534 ' HE3' HD21 ' A' ' 135' ' ' LEU . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' HG13 ' A' ' 2' ' ' ILE . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG22 HD12 ' A' ' 77' ' ' LEU . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.403 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 74' ' ' TRP . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 39' ' ' VAL . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.464 ' HA2' HD22 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 23.5 p-10 -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.636 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.611 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.534 HD21 ' HE3' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 5' ' ' THR . 96.0 mt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NH2' HD12 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 106' ' ' LEU . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' A' ' 33' ' ' ASP . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.554 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.731 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HA ' HD13 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.402 HD12 ' OD1' ' A' ' 100' ' ' ASP . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.464 HD12 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' SD ' ' A' ' 1' ' ' MET . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' HE3' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.671 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.442 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.618 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.2 mm-40 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HA ' HG21 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.488 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.527 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.617 HG21 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' HD2' HG21 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 5' ' ' THR . 83.3 mt . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.553 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.563 HG22 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.478 HG21 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.755 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.419 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.423 HD22 ' CD ' ' A' ' 23' ' ' GLU . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.449 ' HA ' HD23 ' A' ' 48' ' ' LEU . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.755 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 107' ' ' ILE . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' HB2' HD12 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.458 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 115' ' ' LYS . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.458 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 2' ' ' ILE . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.436 HD13 ' CG2' ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.478 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.493 HD13 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.668 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.668 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 HD12 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.713 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.752 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.752 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.554 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HB3' HD23 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.549 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.554 HD13 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.489 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.419 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.537 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.662 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.662 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.714 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HG2' HD11 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.533 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.579 HD22 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.579 ' HZ3' HD22 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.482 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.549 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.471 HD12 ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 109' ' ' SER . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.775 HG21 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD13 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.733 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.638 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.613 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD11 HD12 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.621 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HG2' HD11 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 30.0 m-70 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.477 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.633 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.501 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.68 HG21 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.596 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.577 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.622 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.756 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 34' ' ' GLY . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 32' ' ' ARG . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.622 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 41' ' ' ARG . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.756 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 20' ' ' LEU . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.527 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 HD12 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.727 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.727 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HB3' HD13 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.633 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HE3' HG21 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.544 HD23 HG21 ' A' ' 5' ' ' THR . 95.8 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.68 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' NH1' HG22 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.621 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.68 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.592 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.592 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.485 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.491 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.491 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.5 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 134' ' ' ILE . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.547 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 23.3 mm-40 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.502 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' O ' HD22 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.448 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.718 ' HA ' HD23 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.567 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.567 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.643 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.45 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.578 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.405 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.646 HD13 HD11 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.806 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.678 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.586 ' HE3' HD21 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.713 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' H ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.7 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.713 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.521 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.646 HD11 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt . . . . . 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.714 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.4 HG23 HG22 ' A' ' 134' ' ' ILE . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.655 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.655 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' HG21 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 77' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.627 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.6 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 2.9 m-70 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 HG22 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.557 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.508 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.714 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.421 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 75' ' ' VAL . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.429 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 57' ' ' MET . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' N ' HD23 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HD2' ' OE1' ' A' ' 53' ' ' GLU . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB3' HD13 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 74' ' ' TRP . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.441 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.899 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.899 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.421 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.545 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.426 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.691 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.605 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB3' HD22 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.808 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.485 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.934 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 HD21 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.934 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.46 ' HD2' ' CG ' ' A' ' 138' ' ' GLU . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.566 HD23 HG21 ' A' ' 5' ' ' THR . 91.4 mt . . . . . 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.531 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 HG21 ' HG ' ' A' ' 139' ' ' LEU . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.523 HE21 HG12 ' A' ' 39' ' ' VAL . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 42' ' ' VAL . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.621 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HG ' HD11 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 HE21 ' A' ' 8' ' ' GLN . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.617 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.753 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.716 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.512 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.716 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.531 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.53 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 5' ' ' THR . 28.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.532 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 ' HG3' ' A' ' 131' ' ' GLU . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.629 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 20.0 mm-40 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' TRP . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.542 ' HG2' HG21 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HD22 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' HD22 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.595 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.458 ' HB3' HD13 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.433 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 74.4 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 2.1 p-10 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.512 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.665 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.656 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' A' ' 2' ' ' ILE . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.532 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 133' ' ' ILE . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.695 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.473 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 33' ' ' ASP . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.552 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.565 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.416 ' HA ' HD23 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.65 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.65 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.709 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.476 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.709 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.54 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.552 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HG2' ' H ' ' A' ' 78' ' ' GLY . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.46 ' H ' ' HG2' ' A' ' 76' ' ' MET . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.672 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.616 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 5' ' ' THR . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 137' ' ' GLU . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.607 ' HA ' HG21 ' A' ' 5' ' ' THR . 62.1 mt . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.693 HH22 HD21 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.574 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 110' ' ' LEU . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.799 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.799 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 130' ' ' GLU . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 5' ' ' THR . 95.7 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.666 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.469 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.406 ' HA ' ' OH ' ' A' ' 105' ' ' TYR . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.507 ' HA ' HD23 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 98' ' ' ALA . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' CYS . . . . . 0.52 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.52 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.652 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.449 ' CD2' ' HB1' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.638 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' ASP . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.685 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.498 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.828 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.649 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 20.2 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 62' ' ' GLN . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.6 p-10 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.54 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 5' ' ' THR . 92.5 mt -69.47 167.33 16.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -76.62 57.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.26 0.552 . . . . 0.0 111.045 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.8 m80 60.45 44.4 12.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.548 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.0 m80 68.47 -166.26 0.19 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.623 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -62.9 -29.78 71.03 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.943 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 t60 61.05 99.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.745 0.653 . . . . 0.0 112.553 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -167.75 120.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.085 179.681 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 37' ' ' ARG . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.534 ' HE3' HD21 ' A' ' 135' ' ' LEU . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' HG13 ' A' ' 2' ' ' ILE . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG22 HD12 ' A' ' 77' ' ' LEU . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.403 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 74' ' ' TRP . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 39' ' ' VAL . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.464 ' HA2' HD22 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 23.5 p-10 -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.636 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.611 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.534 HD21 ' HE3' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 5' ' ' THR . 96.0 mt -80.51 -171.43 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.41 122.29 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.296 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -157.44 174.16 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -58.63 147.45 32.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 81.7 m-70 -79.55 152.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.107 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 38.2 m80 74.72 173.9 0.26 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.109 0.88 . . . . 0.0 110.326 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 22.1 m80 70.26 116.18 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.801 0.688 . . . . 0.0 111.098 -174.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.114 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NH2' HD12 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 106' ' ' LEU . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' A' ' 33' ' ' ASP . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.554 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.731 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HA ' HD13 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.402 HD12 ' OD1' ' A' ' 100' ' ' ASP . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.464 HD12 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' SD ' ' A' ' 1' ' ' MET . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' HE3' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.49 177.7 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 72.76 159.97 0.22 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -179.91 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.329 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -143.88 21.58 1.78 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 111.486 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -112.61 151.55 29.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m80 61.39 -162.82 0.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 73.1 m80 72.09 -178.65 0.21 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.797 178.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.671 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.442 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.2 mm-40 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' A' ' 140' ' ' GLU . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.431 ' HZ2' ' HB2' ' A' ' 142' ' ' HIS . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HA ' HG21 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.488 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.527 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.617 HG21 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' HD2' HG21 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 5' ' ' THR . 83.3 mt -105.82 -174.4 2.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.932 ' HG3' ' H ' ' A' ' 142' ' ' HIS . 3.8 tp10 -58.36 144.14 42.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.206 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -71.0 -10.43 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.767 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.932 ' H ' ' HG3' ' A' ' 140' ' ' GLU . 15.4 m170 -88.01 -3.21 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.479 0.657 . . . . 0.0 110.04 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 140' ' ' GLU . 66.5 m-70 -111.52 99.43 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -76.32 23.22 0.15 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 68.49 127.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.413 0.685 . . . . 0.0 111.734 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.297 176.454 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.553 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.563 HG22 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.478 HG21 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.755 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.419 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.423 HD22 ' CD ' ' A' ' 23' ' ' GLU . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.449 ' HA ' HD23 ' A' ' 48' ' ' LEU . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.755 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 107' ' ' ILE . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' HB2' HD12 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.458 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 115' ' ' LYS . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.458 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 2' ' ' ILE . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.436 HD13 ' CG2' ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.478 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.62 146.6 29.94 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 45.49 21.32 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.828 1.251 . . . . 0.0 113.342 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -123.12 87.26 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.05 -0.406 . . . . 0.0 110.458 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.627 ' HA ' ' HD3' ' A' ' 136' ' ' LYS . 32.4 m80 -100.29 46.16 0.96 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.12 -176.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.4 m80 61.86 85.96 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 -168.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -159.38 76.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.24 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 67.89 153.09 0.09 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.315 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.227 178.393 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.493 HD13 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.668 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.668 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 HD12 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.713 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.752 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.752 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.554 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HB3' HD23 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.549 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.554 HD13 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.489 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.419 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.537 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.41 -166.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 68.34 -170.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.27 63.87 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 138' ' ' GLU . 0.1 OUTLIER -60.35 136.84 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.104 -174.342 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 21.9 p-80 -140.27 110.33 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.989 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -147.39 144.14 28.48 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.059 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.4 t60 49.37 96.08 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.825 1.328 . . . . 0.0 113.532 167.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.243 172.509 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.662 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.662 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.714 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HG2' HD11 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.533 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.579 HD22 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.579 ' HZ3' HD22 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.482 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.549 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD12 ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 109' ' ' SER . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.775 HG21 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.1 -172.3 0.53 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 2.0 pt-20 -74.48 87.06 2.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.749 0.785 . . . . 0.0 111.45 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -85.21 110.21 18.87 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 167.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -68.44 -2.17 8.08 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -165.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 37.3 m80 67.36 177.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.964 0.888 . . . . 0.0 112.405 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -151.88 114.4 4.58 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -45.86 109.5 0.19 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -166.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.023 173.043 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD13 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.733 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.638 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.613 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 43.0 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD11 HD12 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.621 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HG2' HD11 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 30.0 m-70 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.477 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt -78.45 -179.69 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.39 164.45 14.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 69.78 104.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.706 0.629 . . . . 0.0 109.719 -176.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.51 21.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.898 0.38 . . . . 0.0 111.906 -173.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.52 89.38 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 75.8 m-70 -119.81 29.92 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.389 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 82.1 t60 74.54 19.56 2.64 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 123.945 0.778 . . . . 0.0 110.234 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.538 175.41 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.633 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.501 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.68 HG21 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.596 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.577 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.622 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.756 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 34' ' ' GLY . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 32' ' ' ARG . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.622 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 41' ' ' ARG . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.756 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 20' ' ' LEU . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.527 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 HD12 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.727 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.727 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HB3' HD13 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.633 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HE3' HG21 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.544 HD23 HG21 ' A' ' 5' ' ' THR . 95.8 mt -67.12 164.88 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 141' ' ' HIS . 6.7 tp10 -73.14 148.75 43.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 140' ' ' GLU . 55.9 t-80 75.04 170.78 0.28 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.916 0.76 . . . . 0.0 109.012 -169.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 141' ' ' HIS . 51.9 t-80 75.99 -58.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -64.87 137.56 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.918 0.39 . . . . 0.0 110.735 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.48 174.09 10.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.724 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -125.24 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.378 -178.258 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.68 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' NH1' HG22 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.621 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.68 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.592 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.592 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.485 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.491 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.491 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.5 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 134' ' ' ILE . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.44 -161.55 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.37 164.3 23.22 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 66.43 91.15 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.773 0.671 . . . . 0.0 109.91 -170.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -60.82 103.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -124.7 172.3 9.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.297 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.54 128.9 37.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -82.3 129.97 34.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.11 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.547 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 23.3 mm-40 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.502 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' O ' HD22 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.448 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.718 ' HA ' HD23 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.567 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.567 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.643 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.45 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.578 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.405 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt -62.06 170.32 2.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -69.16 135.64 50.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.716 -175.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -87.34 50.53 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.007 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -60.24 131.61 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.674 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.09 -37.33 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.168 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -64.0 108.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -105.54 134.22 49.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.917 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.165 177.01 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.646 HD13 HD11 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.806 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.678 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.586 ' HE3' HD21 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.713 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' H ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.7 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.713 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.521 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.646 HD11 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 145' ' ' HIS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt -77.12 -156.87 0.08 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -77.97 75.89 4.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -143.53 116.63 8.92 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.146 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -76.99 105.84 8.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.443 -174.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 70.74 165.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.428 1.08 . . . . 0.0 109.869 -176.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 66.91 78.14 0.26 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 138' ' ' GLU . 0.4 OUTLIER -104.07 72.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.561 179.362 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 145' ' ' HIS . 13.0 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.517 -1.219 . . . . 0.0 108.434 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.714 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.4 HG23 HG22 ' A' ' 134' ' ' ILE . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.655 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.655 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' HG21 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 77' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.627 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.6 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 2.9 m-70 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 HG22 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.557 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.508 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.714 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt -61.72 163.42 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.75 158.05 36.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.942 -175.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -91.07 84.15 5.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.922 0.868 . . . . 0.0 112.092 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -114.54 -4.82 12.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.483 172.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 152.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.245 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -144.64 119.06 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.096 0.474 . . . . 0.0 110.355 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -146.53 131.82 18.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.243 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.473 174.56 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.498 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 75' ' ' VAL . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.429 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 57' ' ' MET . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' N ' HD23 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HD2' ' OE1' ' A' ' 53' ' ' GLU . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB3' HD13 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 74' ' ' TRP . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.441 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.899 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.899 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.421 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.545 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.426 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt -60.99 153.03 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.83 150.94 46.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -74.3 94.99 2.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.268 -166.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -79.97 120.41 24.12 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -63.44 117.94 7.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.688 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 70.55 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.179 0.924 . . . . 0.0 111.773 -177.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -78.87 -35.43 43.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t60 . . . . . 0 C--O 1.241 0.644 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.636 173.42 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.691 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.605 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB3' HD22 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.808 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.485 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.934 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 HD21 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.934 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.46 ' HD2' ' CG ' ' A' ' 138' ' ' GLU . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.566 HD23 HG21 ' A' ' 5' ' ' THR . 91.4 mt -84.27 157.27 21.61 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -111.4 120.28 41.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.546 0.689 . . . . 0.0 110.708 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -136.92 92.02 2.69 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -62.48 86.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.741 -169.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 50.19 30.4 4.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.659 0.784 . . . . 0.0 112.081 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -146.37 106.74 4.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 46.6 m170 72.77 161.28 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.112 0.883 . . . . 0.0 110.327 -170.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.143 -177.152 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 HG21 ' HG ' ' A' ' 139' ' ' LEU . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.523 HE21 HG12 ' A' ' 39' ' ' VAL . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 42' ' ' VAL . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.621 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HG ' HD11 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 HE21 ' A' ' 8' ' ' GLN . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.617 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.753 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.716 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.512 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.716 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.53 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 5' ' ' THR . 28.3 mt -101.04 -170.04 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.454 ' HG2' ' ND1' ' A' ' 145' ' ' HIS . 8.6 tp10 67.3 153.91 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.057 0.943 . . . . 0.0 113.22 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 -41.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.084 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -177.07 40.03 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -96.07 -5.12 41.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 70.06 100.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.807 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . 0.454 ' ND1' ' HG2' ' A' ' 140' ' ' GLU . 25.6 p-80 -115.04 58.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.406 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.751 -0.642 . . . . 0.0 110.138 177.518 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 ' HG3' ' A' ' 131' ' ' GLU . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.629 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 20.0 mm-40 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' TRP . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.542 ' HG2' HG21 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HD22 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' HD22 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.595 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.458 ' HB3' HD13 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 74.4 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 2.1 p-10 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.512 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.665 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.656 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' A' ' 2' ' ' ILE . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.532 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt -66.99 140.03 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.87 146.71 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.66 169.0 15.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.972 0.415 . . . . 0.0 110.939 177.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -60.14 122.88 15.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.87 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -124.03 91.71 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -73.07 113.09 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 67.85 138.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.608 -1.178 . . . . 0.0 112.973 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.806 168.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 133' ' ' ILE . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.695 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.473 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 33' ' ' ASP . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.552 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.565 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.416 ' HA ' HD23 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.65 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.65 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.709 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.709 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.54 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.552 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HG2' ' H ' ' A' ' 78' ' ' GLY . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.46 ' H ' ' HG2' ' A' ' 76' ' ' MET . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.672 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.616 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 5' ' ' THR . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 137' ' ' GLU . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.607 ' HA ' HG21 ' A' ' 5' ' ' THR . 62.1 mt -65.68 146.13 55.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.12 152.4 19.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.208 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -98.47 142.53 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -89.66 -46.1 8.87 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.092 0.472 . . . . 0.0 109.928 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.06 157.23 40.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.255 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.89 142.22 19.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.778 0.323 . . . . 0.0 111.085 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -127.94 -54.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.491 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.647 -175.591 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.693 HH22 HD21 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.574 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 110' ' ' LEU . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.799 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.799 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 130' ' ' GLU . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 5' ' ' THR . 95.7 mt -74.06 -175.38 2.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -99.32 -2.92 35.2 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.339 0.59 . . . . 0.0 110.804 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.428 ' HD1' ' CD ' ' A' ' 40' ' ' GLU . 55.1 m80 -115.49 165.69 12.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.219 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -87.92 94.06 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -96.54 162.5 13.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 62.35 38.49 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.052 0.22 . . . . 0.0 110.71 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -76.21 78.64 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.778 0.799 . . . . 0.0 110.042 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.896 -176.172 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.666 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' HA ' ' OH ' ' A' ' 105' ' ' TYR . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.507 ' HA ' HD23 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 98' ' ' ALA . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' CYS . . . . . 0.52 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.52 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.549 ' OE2' ' HB3' ' A' ' 142' ' ' HIS . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt -68.09 176.36 2.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 141' ' ' HIS . 0.7 OUTLIER -79.45 169.21 18.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.188 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.433 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 52.5 m80 68.85 10.91 8.16 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.808 0.337 . . . . 0.0 110.701 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.549 ' HB3' ' OE2' ' A' ' 138' ' ' GLU . 2.6 m80 -148.04 -166.74 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.566 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -171.9 -41.67 0.02 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.436 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.89 129.04 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 t60 70.67 155.38 0.14 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.737 0.648 . . . . 0.0 110.68 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.162 176.611 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.652 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.449 ' CD2' ' HB1' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.638 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' ASP . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.685 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.498 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.828 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.68 ' HG3' HE21 ' A' ' 62' ' ' GLN . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.68 HE21 ' HG3' ' A' ' 57' ' ' MET . 95.3 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 62' ' ' GLN . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.431 ' HB3' HD23 ' A' ' 27' ' ' LEU . 10.3 p30 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.54 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 5' ' ' THR . 92.5 mt . . . . . 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.611 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 37' ' ' ARG . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.534 ' HE3' HD21 ' A' ' 135' ' ' LEU . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' HG13 ' A' ' 2' ' ' ILE . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.401 HG22 HD12 ' A' ' 77' ' ' LEU . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.403 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 74' ' ' TRP . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 39' ' ' VAL . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.464 ' HA2' HD22 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.636 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.611 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.534 HD21 ' HE3' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 5' ' ' THR . 96.0 mt . . . . . 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NH2' HD12 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 106' ' ' LEU . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' A' ' 33' ' ' ASP . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.554 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.731 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HA ' HD13 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.402 HD12 ' OD1' ' A' ' 100' ' ' ASP . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.464 HD12 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' SD ' ' A' ' 1' ' ' MET . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' HE3' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.671 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.442 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.618 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.5 mm100 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.576 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.534 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HA ' HG21 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.488 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.438 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.527 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.617 HG21 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.503 ' HD2' HG21 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 5' ' ' THR . 83.3 mt . . . . . 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.553 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.563 HG22 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.478 HG21 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.755 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.419 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.423 HD22 ' CD ' ' A' ' 23' ' ' GLU . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.449 ' HA ' HD23 ' A' ' 48' ' ' LEU . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.755 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 107' ' ' ILE . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.514 ' HB2' HD12 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.458 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 115' ' ' LYS . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.458 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 2' ' ' ILE . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.436 HD13 ' CG2' ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.478 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt . . . . . 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.493 HD13 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.668 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.668 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.492 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 HD12 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.713 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.752 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.752 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.554 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HB3' HD23 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.549 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.554 HD13 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.489 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.419 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.419 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.537 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.662 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.662 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.533 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.714 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HG2' HD11 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.533 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.579 HD22 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.579 ' HZ3' HD22 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.482 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.549 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.471 HD12 ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 109' ' ' SER . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.775 HG21 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt . . . . . 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD13 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.733 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.638 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.613 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.572 HD11 HD12 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.611 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.621 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HG2' HD11 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 15.5 m170 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.477 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt . . . . . 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.633 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.501 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.68 HG21 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.596 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.577 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.622 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.756 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 34' ' ' GLY . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 32' ' ' ARG . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.622 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 41' ' ' ARG . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 53' ' ' GLU . 18.5 m-70 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.756 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 20' ' ' LEU . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.527 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 HD12 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.727 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.727 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HB3' HD13 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.633 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HE3' HG21 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.544 HD23 HG21 ' A' ' 5' ' ' THR . 95.8 mt . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.68 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.582 ' NH1' HG22 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.621 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.464 ' HG3' HE21 ' A' ' 62' ' ' GLN . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.464 HE21 ' HG3' ' A' ' 57' ' ' MET . 80.2 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.68 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.592 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.592 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.485 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.491 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.491 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.5 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 134' ' ' ILE . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.412 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt . . . . . 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.547 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.1 mm100 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.502 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.41 ' O ' HD22 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.749 HD21 ' HA ' ' A' ' 50' ' ' GLN . 18.6 t-20 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HA ' HD21 ' A' ' 47' ' ' ASN . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 93' ' ' GLU . 19.9 m170 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.718 ' HA ' HD23 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.567 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.567 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.643 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.45 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.578 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.405 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt . . . . . 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.646 HD13 HD11 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.806 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.678 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.586 ' HE3' HD21 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.497 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.713 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.444 ' H ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.7 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.471 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.42 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.713 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.521 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.646 HD11 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.458 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt . . . . . 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.714 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.4 HG23 HG22 ' A' ' 134' ' ' ILE . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.655 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.655 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' HG21 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 77' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.627 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.6 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 53.2 m170 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.627 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 HG22 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.557 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.508 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.714 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.421 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.498 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 75' ' ' VAL . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.429 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 57' ' ' MET . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.453 ' N ' HD23 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HD2' ' OE1' ' A' ' 53' ' ' GLU . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB3' HD13 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 74' ' ' TRP . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.441 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.899 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.899 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.421 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.545 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.426 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.691 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.605 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB3' HD22 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.482 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.808 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.485 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.934 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 HD21 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.934 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.46 ' HD2' ' CG ' ' A' ' 138' ' ' GLU . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.566 HD23 HG21 ' A' ' 5' ' ' THR . 91.4 mt . . . . . 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.531 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 HG21 ' HG ' ' A' ' 139' ' ' LEU . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.523 HE21 HG12 ' A' ' 39' ' ' VAL . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 42' ' ' VAL . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.621 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HG ' HD11 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 HE21 ' A' ' 8' ' ' GLN . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.617 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.753 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.716 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.512 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.716 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.531 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.53 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 5' ' ' THR . 28.3 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.532 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 ' HG3' ' A' ' 131' ' ' GLU . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.629 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.7 mm100 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.512 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' TRP . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.542 ' HG2' HG21 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HD22 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' HD22 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.595 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.458 ' HB3' HD13 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.433 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.1 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 9.7 p30 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.512 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.665 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.656 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' A' ' 2' ' ' ILE . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.532 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 133' ' ' ILE . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.695 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.473 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 33' ' ' ASP . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.552 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.565 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.416 ' HA ' HD23 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.65 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.65 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.709 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.476 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.709 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.54 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.552 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.46 ' HG2' ' H ' ' A' ' 78' ' ' GLY . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.46 ' H ' ' HG2' ' A' ' 76' ' ' MET . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.672 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.616 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 5' ' ' THR . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 137' ' ' GLU . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.607 ' HA ' HG21 ' A' ' 5' ' ' THR . 62.1 mt . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.509 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.693 HH22 HD21 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.574 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 110' ' ' LEU . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.799 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.799 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 130' ' ' GLU . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 5' ' ' THR . 95.7 mt . . . . . 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.666 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.666 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.469 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.406 ' HA ' ' OH ' ' A' ' 105' ' ' TYR . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.507 ' HA ' HD23 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 98' ' ' ALA . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' CYS . . . . . 0.52 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.52 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.501 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.8 ttp . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.898 0.38 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 14.1 tt -124.81 134.76 66.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 120.959 0.409 . . . . 0.0 109.904 174.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 65.9 m -126.1 132.37 51.91 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.804 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.518 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -139.17 163.87 31.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 175.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.652 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 51.9 p -95.16 167.08 11.59 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.819 0.343 . . . . 0.0 111.369 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -54.59 -43.58 72.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.743 0.782 . . . . 0.0 110.037 176.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 tmtt? -61.55 -38.45 87.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.464 -1.244 . . . . 0.0 111.292 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.652 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 69.9 mm-40 -67.96 -41.62 82.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.692 0.282 . . . . 0.0 110.288 177.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 48.9 ttm -57.73 -46.14 84.85 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -59.55 -41.91 91.16 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.208 176.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -63.03 -43.76 97.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.244 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.48 -44.06 83.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.441 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 29.9 mt -59.49 -43.39 93.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.277 178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.64 -41.69 98.21 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.811 179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.449 ' CD2' ' HB1' ' A' ' 24' ' ' ALA . 73.0 t60 -66.41 -35.74 81.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.73 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -52.84 63.5 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.377 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.1 mtp180 -69.12 -33.14 72.99 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.235 0.541 . . . . 0.0 110.101 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -54.63 -44.0 72.78 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.217 -0.901 . . . . 0.0 111.82 177.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.16 -26.22 52.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.327 -174.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' CD2' ' HA ' ' A' ' 84' ' ' PRO . 75.9 mt -50.99 143.04 16.28 Favored Pre-proline 0 N--CA 1.465 0.286 0 O-C-N 123.092 0.245 . . . . 0.0 111.546 -175.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -84.39 10.24 49.13 Favored 'Cis proline' 0 C--N 1.348 0.521 0 C-N-CA 123.68 -1.383 . . . . 0.0 113.8 5.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -83.37 164.49 19.95 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 173.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.0 OUTLIER -85.78 154.01 21.89 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.608 -0.437 . . . . 0.0 109.832 -178.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.638 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -105.87 112.45 25.51 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -172.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' A' ' 47' ' ' ASN . 25.4 p -114.86 167.78 10.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.821 0.343 . . . . 0.0 110.762 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 164.67 -166.07 37.79 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD23 ' HB3' ' A' ' 79' ' ' ASN . 92.9 mt -123.66 165.67 16.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 110.502 -178.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.5 mt -120.69 131.01 54.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.953 176.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.81 153.32 16.93 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 -177.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.05 -134.8 3.62 Favored Glycine 0 N--CA 1.445 -0.703 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 -179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -118.86 142.75 47.46 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.845 0.355 . . . . 0.0 110.825 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -126.27 122.38 35.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 176.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -149.3 134.8 18.5 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.137 -176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' ' 35' ' ' ASP . . . 64.51 26.3 70.72 Favored Glycine 0 N--CA 1.449 -0.465 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 -173.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.408 ' HB3' ' O ' ' A' ' 34' ' ' GLY . 19.7 t70 75.11 -19.34 0.39 Allowed 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.983 0.913 . . . . 0.0 111.261 -176.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -71.26 156.44 39.53 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.112 177.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.513 ' HB3' HD22 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -129.16 133.59 47.67 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.804 -173.354 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.46 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 24.4 m-90 -118.21 114.64 23.32 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 48.7 t -84.14 105.63 13.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.45 -177.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -102.41 -11.97 18.22 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.609 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -152.14 128.75 10.77 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.21 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.544 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 98.9 t -83.0 137.14 21.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 171.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -110.12 86.91 5.44 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.619 0.247 . . . . 0.0 110.94 179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.544 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 9.7 Cg_exo -71.07 98.78 0.83 Allowed 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.567 2.178 . . . . 0.0 110.867 176.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 65.2 mt -90.04 -12.5 38.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.783 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 61.3 t30 70.28 155.73 0.14 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.319 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.685 ' HA ' ' SG ' ' A' ' 25' ' ' CYS . 17.8 t-20 -73.43 106.48 5.25 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.929 0.395 . . . . 0.0 110.949 -173.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.48 ' HB2' ' OD1' ' A' ' 58' ' ' ASP . 2.0 mm? -74.84 -3.99 35.15 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 112.473 0.546 . . . . 0.0 112.473 177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.828 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.6 t70 -97.0 -164.03 1.11 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 177.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -129.11 6.79 5.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.675 0.75 . . . . 0.0 109.234 176.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.432 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 60.8 m -82.23 145.98 53.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.214 -178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.458 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 5.7 Cg_endo -86.3 -29.96 0.44 Allowed 'Trans proline' 0 N--CA 1.455 -0.738 0 C-N-CA 122.935 2.423 . . . . 0.0 112.879 178.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -115.05 -31.86 5.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.008 -0.277 . . . . 0.0 111.557 -177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.498 ' HE1' ' HB2' ' A' ' 93' ' ' GLU . 18.7 m170 -88.8 150.5 22.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.795 0.331 . . . . 0.0 110.143 175.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -110.8 167.68 10.05 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -174.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.828 ' HB2' ' HB2' ' A' ' 49' ' ' ASP . 32.1 t -109.31 167.25 10.25 Favored 'General case' 0 N--CA 1.441 -0.875 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 170.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.68 ' HG3' HE21 ' A' ' 62' ' ' GLN . 4.8 tpt -98.07 8.95 43.99 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 178.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 27.0 m-20 47.45 70.72 1.91 Allowed Pre-proline 0 CA--C 1.532 0.254 0 CA-C-N 114.332 -1.304 . . . . 0.0 111.589 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -56.68 -51.46 9.04 Favored 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 123.451 2.767 . . . . 0.0 114.061 -170.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -67.84 -39.43 83.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.521 0.677 . . . . 0.0 109.81 -177.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HB2' ' HB3' ' A' ' 58' ' ' ASP . 2.0 mp0 -63.76 -31.75 73.02 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.842 -1.072 . . . . 0.0 111.562 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.68 HE21 ' HG3' ' A' ' 57' ' ' MET . 95.3 mt-30 -54.62 -48.65 71.95 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.151 0.501 . . . . 0.0 109.995 175.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 30.6 tp -64.83 -34.65 78.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.134 -176.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.2 m -68.38 -45.37 72.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.628 176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.435 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -64.46 -45.43 87.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.659 -177.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 62' ' ' GLN . 59.3 t -64.74 -34.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.29 0.567 . . . . 0.0 110.277 179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -65.18 -34.71 79.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.17 178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -70.34 -47.76 59.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.175 178.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 59.4 mtt -57.73 -32.34 67.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.303 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.436 HH11 ' HD2' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -74.37 -24.63 59.18 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.259 -0.276 . . . . 0.0 111.271 179.219 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 71' ' ' LYS . 11.8 tmtt? -74.6 -41.01 61.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.32 179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 22.2 p30 -95.99 -19.95 19.09 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -174.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 96.36 20.7 24.38 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.969 176.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 51.2 m0 -100.49 175.75 5.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 110.908 179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 26.8 m -128.49 169.88 19.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.317 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.8 ttm -85.64 122.31 29.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.186 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.513 HD22 ' HB3' ' A' ' 37' ' ' ARG . 45.2 mt -92.86 -38.07 11.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.189 0.518 . . . . 0.0 110.683 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 164.81 -157.55 30.02 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.431 ' HB3' HD23 ' A' ' 27' ' ' LEU . 10.3 p30 -135.81 170.59 15.75 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.155 0.502 . . . . 0.0 110.62 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 30.3 p90 -145.48 147.85 32.61 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.983 179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.638 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 6.3 p80 -150.48 133.64 16.2 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.167 0.508 . . . . 0.0 109.68 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 5.2 m -114.79 137.3 52.1 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.93 -171.245 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.459 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 32.1 m170 -84.2 144.25 43.66 Favored Pre-proline 0 C--N 1.327 -0.394 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 20' ' ' LEU . 52.6 Cg_exo -55.74 -56.31 2.3 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.149 2.566 . . . . 0.0 113.765 -173.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -143.93 17.46 1.78 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.484 0.659 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.459 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -106.95 160.67 25.49 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.563 -178.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.507 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 57.5 Cg_endo -70.0 -178.06 2.25 Favored 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.757 2.304 . . . . 0.0 113.874 -173.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.497 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -85.99 -163.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.195 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 88' ' ' ALA . 7.2 mmm180 73.48 144.05 0.1 Allowed Pre-proline 0 N--CA 1.465 0.304 0 O-C-N 123.838 0.711 . . . . 0.0 111.158 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -77.88 133.09 12.28 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.255 1.97 . . . . 0.0 111.708 177.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.1 t -84.59 172.03 11.95 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.564 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -60.52 -49.47 77.42 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -174.314 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' HB2' ' HE1' ' A' ' 54' ' ' HIS . 0.0 OUTLIER -74.85 -34.25 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.386 178.52 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -61.57 -40.66 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.592 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -29.31 66.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.01 -179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.564 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 27.4 mmm180 -65.28 -17.4 64.48 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.819 0.342 . . . . 0.0 111.223 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.9 mt -78.08 -5.82 52.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.855 0.36 . . . . 0.0 111.073 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -81.76 98.58 8.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.363 0.601 . . . . 0.0 110.6 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -97.0 28.99 3.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.268 177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -114.31 166.56 11.29 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.464 -0.789 . . . . 0.0 109.591 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -73.59 -55.94 0.09 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.201 1.934 . . . . 0.0 113.252 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . 0.691 ' HA ' ' O ' ' A' ' 123' ' ' ILE . 62.7 m -167.51 53.95 0.07 Allowed 'General case' 0 C--O 1.233 0.185 0 CA-C-O 120.802 0.334 . . . . 0.0 110.631 -176.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 50.9 mt -80.51 176.42 9.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.355 0.597 . . . . 0.0 111.354 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 23.5 m -95.16 116.78 29.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.671 -179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -111.51 108.83 18.49 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.243 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 7.8 mp -89.55 121.55 31.87 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.876 0.369 . . . . 0.0 110.107 176.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.4 mp -112.49 121.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.4 mt -104.38 133.6 48.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.4 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.507 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 44.3 t -94.02 111.08 22.75 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.954 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.34 25.0 8.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.074 0.464 . . . . 0.0 110.259 -179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -55.28 -36.93 66.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.288 176.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 113' ' ' PRO . 5.0 tp10 -143.58 140.89 17.94 Favored Pre-proline 0 C--N 1.326 -0.427 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.4 Cg_exo -79.04 -14.88 13.32 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.356 2.037 . . . . 0.0 111.791 177.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -76.12 -28.81 57.6 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.178 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.498 ' HD3' ' HA ' ' A' ' 115' ' ' LYS . 43.8 mmtt -147.49 77.84 10.35 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.785 178.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -83.7 109.52 1.55 Allowed 'Trans proline' 0 N--CA 1.453 -0.866 0 C-N-CA 123.344 2.696 . . . . 0.0 110.992 176.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 59.9 t -70.56 120.02 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.005 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.5 117.56 30.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.288 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -137.78 164.08 29.78 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.425 ' HB2' ' HB3' ' A' ' 131' ' ' GLU . 25.0 m -115.4 119.64 36.92 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -108.81 130.19 55.39 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.103 0.478 . . . . 0.0 110.765 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 96.8 mt -95.61 110.48 22.57 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 176.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.691 ' O ' ' HA ' ' A' ' 102' ' ' SER . 61.6 mt -86.2 107.79 16.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 -179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -112.3 171.38 7.55 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.704 -178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -52.73 63.92 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.668 0.746 . . . . 0.0 109.586 176.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.4 -17.19 64.63 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.537 -1.21 . . . . 0.0 112.593 -176.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 153.32 -166.05 31.52 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.388 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 9.7 p -106.56 133.55 50.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.004 0.43 . . . . 0.0 110.428 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -118.85 146.02 45.21 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.898 -177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -97.11 129.29 44.53 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 121.552 0.691 . . . . 0.0 111.946 -176.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.425 ' HB3' ' HB2' ' A' ' 120' ' ' SER . 8.7 tp10 -108.17 133.01 53.02 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.545 173.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -91.22 145.53 24.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.014 0.435 . . . . 0.0 110.789 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.3 mt -100.33 122.74 52.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.501 -174.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.501 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -103.43 137.67 30.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.18 175.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 55.2 mt -94.74 147.89 22.85 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.227 0.537 . . . . 0.0 111.818 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.54 ' HB3' HG22 ' A' ' 5' ' ' THR . 35.8 ttpt -121.23 134.92 55.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.483 175.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -74.08 -25.16 59.66 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.609 0.719 . . . . 0.0 111.455 -174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.477 ' O ' ' HG2' ' A' ' 136' ' ' LYS . 7.6 tp10 -134.89 156.39 49.03 Favored 'General case' 0 C--N 1.31 -1.136 0 CA-C-N 114.828 -1.078 . . . . 0.0 110.379 -173.053 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.474 HD23 HG21 ' A' ' 5' ' ' THR . 92.5 mt -69.47 167.33 16.9 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 175.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -76.62 57.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.26 0.552 . . . . 0.0 111.045 -179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.8 m80 60.45 44.4 12.06 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.548 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.0 m80 68.47 -166.26 0.19 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.623 176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -62.9 -29.78 71.03 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 121.08 -0.248 . . . . 0.0 110.943 -177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 79.3 t60 61.05 99.67 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.745 0.653 . . . . 0.0 112.553 174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.0 t-80 -167.75 120.01 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.092 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 31.8 p80 . . . . . 0 C--O 1.245 0.834 0 CA-C-O 118.297 -0.859 . . . . 0.0 110.085 179.681 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.611 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.415 HG13 ' HB2' ' A' ' 37' ' ' ARG . 13.8 tt -112.15 140.02 33.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.762 177.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 49.0 m -121.72 121.12 36.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.141 0.496 . . . . 0.0 111.25 -178.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.3 pp -148.23 166.06 29.09 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.265 176.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.681 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -91.5 158.4 16.49 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.266 -175.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -56.6 -39.8 74.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.334 0.588 . . . . 0.0 109.981 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.24 -48.72 75.94 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.801 -1.09 . . . . 0.0 111.415 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.681 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.9 mm100 -61.24 -37.68 83.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.63 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.534 ' HE3' HD21 ' A' ' 135' ' ' LEU . 49.9 ttm -66.48 -46.81 75.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 110.207 175.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -59.2 -37.39 77.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 177.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -61.89 -40.88 96.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.715 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.2 mtm -68.91 -39.96 79.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.136 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 9' ' ' MET . 96.2 mt -60.87 -44.89 96.44 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.309 178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.526 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -63.56 -38.7 92.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.649 179.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -69.57 -33.36 72.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.141 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.591 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -66.35 -49.43 66.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.99 177.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.526 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 4.5 ptm180 -60.85 -32.88 72.28 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.186 0.517 . . . . 0.0 110.059 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -64.45 -45.52 87.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.349 -0.842 . . . . 0.0 111.343 177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.611 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.42 -7.35 59.32 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -172.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 76.0 mt -55.08 143.44 53.61 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.427 0.156 . . . . 0.0 110.695 178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -95.95 31.4 12.48 Favored 'Cis proline' 0 N--CA 1.456 -0.706 0 C-N-CA 124.092 -1.212 . . . . 0.0 113.251 1.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -86.7 167.73 14.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.1 OUTLIER -84.66 92.14 8.1 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.821 0.82 . . . . 0.0 110.393 -177.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -57.54 121.82 11.21 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.132 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.439 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 63.2 m -136.43 167.5 21.23 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.637 -178.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.528 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -174.68 -164.68 29.91 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 43' ' ' TYR . 96.2 mt -123.67 154.29 39.59 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.106 0.453 . . . . 0.0 110.238 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.5 mt -125.07 126.67 45.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.467 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.509 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -126.89 153.29 18.87 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.916 -0.659 . . . . 0.0 112.259 179.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.16 -132.96 2.6 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.225 179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 83.6 mtt180 -110.44 136.35 49.73 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 -177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.8 ttp85 -123.57 131.78 53.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.138 0.494 . . . . 0.0 110.327 178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 3.4 t70 -98.06 -152.31 0.4 Allowed 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 174.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -45.07 -55.31 6.54 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.784 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.61 -0.59 1.2 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.938 0.399 . . . . 0.0 110.625 171.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.67 148.8 46.12 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.415 ' HB2' HG13 ' A' ' 2' ' ' ILE . 8.6 mmt180 -128.82 117.64 21.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.347 -174.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 16.7 m-90 -116.58 115.65 26.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.659 0.266 . . . . 0.0 110.42 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.401 HG22 HD12 ' A' ' 77' ' ' LEU . 38.3 t -89.75 111.14 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 111.979 0.363 . . . . 0.0 111.979 -175.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -103.01 -28.0 12.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.608 173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 25.3 tpt180 -132.78 130.03 39.37 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.117 0.484 . . . . 0.0 111.422 -175.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.509 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -107.01 134.3 49.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.49 175.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 90.3 m-85 -111.32 86.83 6.87 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.665 0.269 . . . . 0.0 110.277 178.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 11.9 Cg_exo -69.38 111.06 2.63 Favored 'Trans proline' 0 N--CA 1.461 -0.42 0 C-N-CA 122.571 2.181 . . . . 0.0 111.913 -178.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 27' ' ' LEU . 93.5 mt -92.67 173.9 7.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.756 -178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -113.14 160.31 18.35 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.082 -177.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -83.36 112.07 19.58 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.956 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -76.01 -57.78 3.67 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.009 175.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -100.85 116.99 34.04 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.771 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -74.95 93.19 2.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.59 0.71 . . . . 0.0 111.302 -173.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.403 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 9.2 m -125.2 167.47 16.22 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.525 177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -98.82 5.32 1.06 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 122.478 2.119 . . . . 0.0 112.684 169.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -141.19 -57.82 0.49 Allowed 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -170.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -91.05 134.6 34.38 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 121.036 0.446 . . . . 0.0 111.22 -174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -116.98 148.2 41.63 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.062 -174.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 9.2 m -132.64 133.53 43.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.576 175.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.69 150.21 23.67 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.656 0.265 . . . . 0.0 110.356 178.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -78.81 140.62 58.69 Favored Pre-proline 0 C--N 1.328 -0.35 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -78.52 -30.01 3.41 Favored 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.36 2.04 . . . . 0.0 113.285 -178.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 66.7 mtt-85 -75.63 -46.23 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.082 0.467 . . . . 0.0 109.96 -175.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -67.41 -35.39 79.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.374 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.419 ' O ' HG23 ' A' ' 66' ' ' VAL . 29.7 tt0 -66.12 -43.19 87.85 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.86 179.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.2 tp -58.67 -47.3 84.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.477 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 21.7 m -65.98 -39.59 90.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.839 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.21 -44.14 97.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.792 0.329 . . . . 0.0 111.055 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 62' ' ' GLN . 82.1 t -63.47 -44.23 98.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.511 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -65.39 -40.79 93.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.435 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.82 -48.27 77.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.283 -179.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.527 ' HG3' ' HB2' ' A' ' 74' ' ' TRP . 3.9 ttp -59.0 -49.07 79.32 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.838 -1.074 . . . . 0.0 110.871 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -62.06 -39.84 93.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.997 178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -58.91 -39.66 82.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.488 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -82.91 -19.77 36.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.031 0.443 . . . . 0.0 110.761 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.76 18.66 12.18 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.635 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.527 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.8 m0 -95.76 168.2 10.81 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.042 0.449 . . . . 0.0 110.88 178.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.9 m -130.82 157.43 43.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.966 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 ttm -75.84 120.55 21.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.129 0.49 . . . . 0.0 110.297 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.401 HD12 HG22 ' A' ' 39' ' ' VAL . 81.0 mt -87.84 -30.07 20.47 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.249 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.464 ' HA2' HD22 ' A' ' 103' ' ' LEU . . . 158.01 -142.47 8.54 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.505 -0.771 . . . . 0.0 111.438 -179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.528 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 0.1 OUTLIER -151.81 173.76 14.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.78 0.324 . . . . 0.0 110.463 -178.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.439 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 50.7 p90 -128.37 143.6 51.02 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.288 177.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 82.9 t60 -136.73 131.06 32.96 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.41 -176.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.1 m -114.3 155.52 26.05 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.081 -173.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.497 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 2.4 m170 -127.12 141.65 41.38 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.941 174.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -69.13 -56.17 0.17 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.738 2.292 . . . . 0.0 114.044 -176.149 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.96 35.16 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.172 0.51 . . . . 0.0 111.159 -173.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.497 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.2 p -136.92 154.76 76.4 Favored Pre-proline 0 C--N 1.317 -0.815 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.716 -178.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -66.33 167.39 18.67 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.194 2.596 . . . . 0.0 113.137 -176.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.23 77.27 9.05 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.546 178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 91.5 mtt180 -147.07 144.78 20.3 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.512 177.019 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 5.5 Cg_exo -73.95 108.62 2.7 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.695 2.263 . . . . 0.0 111.755 178.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.429 ' O ' ' HG2' ' A' ' 95' ' ' LYS . 93.5 p -79.26 175.38 10.65 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.09 -33.22 64.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.876 0.369 . . . . 0.0 110.974 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.433 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 25.3 mm-40 -64.91 -47.35 78.07 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.497 177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -69.71 -35.42 75.03 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.377 -178.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.8 mmmm -59.83 -37.61 79.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.197 179.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 66.8 mtt180 -75.65 -18.67 59.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.422 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 97.3 mt -90.51 1.21 56.91 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.024 0.44 . . . . 0.0 110.914 -179.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -84.57 95.37 8.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.808 176.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -102.21 -21.69 14.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.891 -0.595 . . . . 0.0 112.275 -174.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -135.07 90.24 21.97 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 120.732 0.301 . . . . 0.0 111.342 -173.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.636 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 34.5 Cg_exo -59.95 -4.11 2.65 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.735 2.957 . . . . 0.0 114.422 -176.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 48.1 m -86.43 -17.6 33.91 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.284 0.564 . . . . 0.0 110.224 178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD22 ' HA2' ' A' ' 78' ' ' GLY . 91.7 mt -89.98 148.72 22.92 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.734 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.2 p -89.49 136.51 32.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.996 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -109.32 94.88 5.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.104 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.0 mp -82.42 133.63 35.22 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 176.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.54 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 60.2 mt -119.61 128.62 75.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-O 120.994 0.426 . . . . 0.0 110.857 -176.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.5 mt -108.26 127.33 64.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.476 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 43.9 t -110.48 123.4 49.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.69 17.49 22.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.479 176.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.09 -22.34 65.83 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.24 -178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -125.28 88.43 54.15 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -59.93 -19.88 57.31 Favored 'Trans proline' 0 N--CA 1.472 0.244 0 C-N-CA 123.142 2.561 . . . . 0.0 113.887 -172.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.8 -22.71 29.43 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.837 0.351 . . . . 0.0 110.831 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -144.91 77.41 13.27 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.785 -176.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.54 123.24 12.36 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.657 2.238 . . . . 0.0 111.645 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 39.7 t -94.67 122.1 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.684 -177.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.0 t -116.09 118.23 32.29 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.7 mttm -123.12 166.92 14.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.976 0.417 . . . . 0.0 110.261 178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.438 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 35.1 m -124.49 120.15 31.17 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.696 178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -115.89 133.69 55.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.316 0.579 . . . . 0.0 110.898 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.523 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 59.6 mt -102.49 106.52 17.26 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.108 175.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.1 mt -91.79 108.76 20.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -178.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.636 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.2 mmtt -101.28 -171.67 2.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.16 -177.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 tptt -63.23 -55.16 27.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.565 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -66.72 -61.57 1.9 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.465 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -154.24 -171.99 21.74 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.54 -176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.4 p -101.39 131.53 49.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.192 0.52 . . . . 0.0 110.735 -179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -110.4 126.22 54.06 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.887 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -81.15 133.45 35.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.059 0.456 . . . . 0.0 110.565 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.611 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 10.0 tp10 -117.62 149.92 39.88 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.991 -178.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -101.76 146.35 27.89 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.891 0.377 . . . . 0.0 110.222 -177.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 48.0 mt -98.78 135.45 33.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.535 -177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.0 mm -99.66 111.96 30.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 174.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.534 HD21 ' HE3' ' A' ' 9' ' ' MET . 81.7 mt -95.91 117.12 29.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.73 -173.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -95.75 158.4 15.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.688 173.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -88.25 -26.64 22.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.364 0.602 . . . . 0.0 110.032 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -135.43 173.83 11.28 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.97 -1.014 . . . . 0.0 110.146 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.594 HD23 HG21 ' A' ' 5' ' ' THR . 96.0 mt -80.51 -171.43 3.06 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 176.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.41 122.29 18.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.834 0.35 . . . . 0.0 110.296 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -157.44 174.16 15.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.835 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -58.63 147.45 32.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.824 0.345 . . . . 0.0 110.659 178.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.481 ' O ' ' HB2' ' A' ' 144' ' ' HIS . 81.7 m-70 -79.55 152.74 29.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.107 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 143' ' ' HIS . 38.2 m80 74.72 173.9 0.26 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 124.109 0.88 . . . . 0.0 110.326 -172.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 22.1 m80 70.26 116.18 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.801 0.688 . . . . 0.0 111.098 -174.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 27.6 m170 . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 177.114 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.479 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 25.4 ptt? . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.879 0.371 . . . . 0.0 110.122 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.504 HG22 ' HG3' ' A' ' 131' ' ' GLU . 9.4 tt -120.87 123.52 70.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 174.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.417 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 30.3 m -111.31 129.92 55.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.486 -174.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -140.71 162.26 35.83 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.303 172.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 61.0 p -92.74 167.71 11.69 Favored 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 120.789 -0.364 . . . . 0.0 111.355 -172.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 10.1 tmtt? -55.69 -38.83 70.19 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 173.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -61.06 -45.64 93.93 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.255 177.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.474 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 15.1 mm100 -66.0 -34.17 77.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.727 0.299 . . . . 0.0 110.571 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.531 ' HE3' HD21 ' A' ' 135' ' ' LEU . 52.9 ttm -66.08 -43.29 87.77 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 49.3 mm-40 -57.81 -40.33 79.7 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.658 175.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' GLN . 5.4 mm-40 -57.29 -47.47 81.39 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.128 176.067 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.9 mtm -69.87 -39.97 76.02 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 57.5 mt -63.92 -44.49 92.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.66 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.5 -45.77 92.82 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.9 0.381 . . . . 0.0 110.685 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.43 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 48.9 t60 -66.33 -33.2 75.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.216 178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.05 -52.87 63.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.964 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.464 ' NH2' HD12 ' A' ' 110' ' ' LEU . 38.5 mmt180 -65.26 -33.5 76.14 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.96 0.409 . . . . 0.0 110.62 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -64.06 -44.05 93.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.417 176.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.0 -47.38 12.74 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -173.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 87.4 mt -54.49 134.13 62.94 Favored Pre-proline 0 C--N 1.332 -0.167 0 CA-C-O 120.859 0.361 . . . . 0.0 111.739 -173.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -85.0 126.45 10.14 Favored 'Cis proline' 0 N--CA 1.461 -0.415 0 C-N-CA 123.564 -1.432 . . . . 0.0 112.351 -1.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.488 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 28.8 t-20 178.36 -24.53 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.325 -176.262 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.488 ' HB2' ' O ' ' A' ' 22' ' ' ASN . 9.4 mt-10 75.42 104.69 0.07 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.679 -172.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.603 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -68.5 114.46 6.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.207 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.554 ' SG ' ' HB2' ' A' ' 47' ' ' ASN . 58.5 m -115.91 168.61 9.92 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.895 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 169.15 -167.21 40.31 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.294 -0.955 . . . . 0.0 112.371 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.1 mt -124.07 156.6 36.27 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 106' ' ' LEU . 85.4 mt -112.4 126.45 55.3 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.155 179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.59 135.14 9.68 Favored Glycine 0 N--CA 1.444 -0.802 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.777 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -179.08 -159.16 22.79 Favored Glycine 0 N--CA 1.445 -0.719 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.3 mtm180 -126.64 148.39 49.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 121.012 0.434 . . . . 0.0 111.398 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.494 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 18.0 ptt180 -114.85 134.79 54.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.802 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.432 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 12.5 t0 -138.66 116.12 11.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.9 26.67 66.32 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 110.403 -1.079 . . . . 0.0 110.403 -171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.7 t70 75.53 -22.48 0.27 Allowed 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 124.392 1.077 . . . . 0.0 111.418 -177.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.494 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 53.3 m-20 -64.91 156.15 31.99 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.114 0.483 . . . . 0.0 110.253 176.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 38.6 mtt85 -127.69 129.92 47.99 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.19 -168.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.432 ' CZ3' ' HB3' ' A' ' 33' ' ' ASP . 29.8 m-90 -112.71 121.24 44.17 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 173.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.5 t -79.21 92.68 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 179.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -79.64 -28.24 40.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.883 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.3 tpm_? -145.1 135.7 24.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.063 0.458 . . . . 0.0 111.241 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.596 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 60.2 t -100.75 132.3 46.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -108.33 87.59 4.21 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.596 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 7.6 Cg_exo -71.74 114.67 4.02 Favored 'Trans proline' 0 N--CA 1.462 -0.376 0 C-N-CA 123.073 2.515 . . . . 0.0 112.34 -176.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 75.3 mt -114.77 -169.69 1.59 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.945 -178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.441 ' O ' ' HG3' ' A' ' 57' ' ' MET . 27.9 t-20 -125.49 148.53 48.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.613 0.244 . . . . 0.0 110.658 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.554 ' HB2' ' SG ' ' A' ' 25' ' ' CYS . 58.0 t30 -86.83 111.35 20.68 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 177.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.731 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.0 mm? -64.71 -19.04 65.54 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.971 -173.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.29 126.55 45.14 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 177.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -79.46 61.07 3.4 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 177.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.6 m -159.08 142.42 10.73 Favored Pre-proline 0 N--CA 1.447 -0.591 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.52 -175.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -87.15 4.52 6.11 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.052 2.501 . . . . 0.0 112.444 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.6 mt-10 -109.1 -6.92 15.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.191 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -123.31 133.98 54.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 81' ' ' HIS . 71.3 t80 -130.89 105.84 8.03 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.7 0.286 . . . . 0.0 110.421 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 36.0 m -159.07 134.13 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.103 0.477 . . . . 0.0 111.178 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.731 ' HA ' HD23 ' A' ' 48' ' ' LEU . 4.5 mpp? -103.66 178.58 4.52 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 171.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 12.5 t70 -86.99 140.91 32.9 Favored Pre-proline 0 C--N 1.322 -0.616 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.362 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 41.1 Cg_exo -59.98 -28.26 86.7 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.614 2.21 . . . . 0.0 112.744 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.8 ttp-105 -74.83 -40.9 60.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.537 0.208 . . . . 0.0 111.214 -177.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 58' ' ' ASP . 16.4 pt-20 -71.31 -35.93 71.43 Favored 'General case' 0 CA--C 1.53 0.205 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -67.52 -44.39 78.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.999 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.65 -44.59 93.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.8 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.5 m -64.03 -32.95 74.69 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.762 179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.85 -44.25 81.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 177.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.8 t -67.14 -36.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.353 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -61.58 -37.87 85.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.2 177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -72.3 -43.42 64.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.482 0.658 . . . . 0.0 109.806 176.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 31.1 ttm -57.08 -48.57 78.25 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.803 -1.089 . . . . 0.0 110.888 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.1 ttt180 -68.44 -30.37 69.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.926 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -61.27 -39.51 90.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.051 0.453 . . . . 0.0 110.495 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -83.95 -19.35 34.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.921 -179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 101.35 12.23 36.54 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.287 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -81.89 164.3 21.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.058 0.456 . . . . 0.0 110.568 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.2 m -122.01 158.34 25.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.841 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 48.9 ttm -71.56 114.16 9.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.077 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.6 mt -86.52 -29.45 22.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.013 0.435 . . . . 0.0 110.364 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.86 -152.02 23.67 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.583 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -147.8 170.7 17.04 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 43.3 p90 -146.15 158.16 43.86 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.861 0.363 . . . . 0.0 111.576 -177.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.452 ' HB3' ' CE1' ' A' ' 55' ' ' PHE . 13.6 p80 -150.01 139.23 21.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.272 169.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 32.3 t -114.38 138.17 50.89 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 -170.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.5 m80 -101.23 142.93 25.6 Favored Pre-proline 0 C--N 1.332 -0.185 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.038 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -78.17 -41.16 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.618 2.212 . . . . 0.0 112.626 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.41 71.05 0.93 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.285 0.564 . . . . 0.0 110.146 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -157.09 153.72 24.52 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.503 -0.772 . . . . 0.0 109.155 178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -67.69 155.25 70.78 Favored 'Trans proline' 0 C--O 1.236 0.392 0 C-N-CA 122.804 2.336 . . . . 0.0 112.703 -176.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.448 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -93.08 84.44 4.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.23 0.538 . . . . 0.0 110.906 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -150.01 153.46 35.66 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.546 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.4 116.67 4.63 Favored 'Trans proline' 0 N--CA 1.464 -0.242 0 C-N-CA 122.272 1.981 . . . . 0.0 111.891 178.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.11 168.39 19.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.493 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -62.41 -41.56 98.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.463 177.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.63 -43.09 90.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.783 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -58.88 -42.47 89.57 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.045 0.45 . . . . 0.0 110.724 177.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.429 ' HA ' HD13 ' A' ' 123' ' ' ILE . 2.0 tmmt? -65.48 -31.2 72.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.227 -177.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 43.0 mtt-85 -75.6 -37.02 60.13 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.024 0.44 . . . . 0.0 110.419 177.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.4 mt -81.23 11.23 4.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.667 -175.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.57 96.55 4.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.13 0.49 . . . . 0.0 110.247 177.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -91.22 -20.68 21.69 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.46 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 21.8 m-20 -98.54 143.76 26.9 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.696 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 27.3 Cg_endo -88.68 -52.7 0.02 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.667 0 C-N-CA 122.606 2.204 . . . . 0.0 113.658 -177.338 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 25.0 m -122.87 19.08 10.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.803 0.335 . . . . 0.0 111.151 -174.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.402 HD12 ' OD1' ' A' ' 100' ' ' ASP . 46.0 mt -91.79 145.72 24.34 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 177.244 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 27.1 p -79.85 112.17 16.88 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.098 0.475 . . . . 0.0 112.226 -170.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -88.77 115.14 26.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.37 170.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 11.1 mp -99.31 130.26 45.59 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.304 0.573 . . . . 0.0 111.349 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 71.7 mt -119.53 123.31 70.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.313 175.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.7 mt -108.95 138.67 34.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.626 -177.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.448 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 28.8 t -110.06 113.58 26.41 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.646 178.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.464 HD12 ' NH2' ' A' ' 17' ' ' ARG . 4.0 mm? -97.68 15.27 24.03 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.952 175.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.444 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -62.58 -28.32 69.8 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.583 0.706 . . . . 0.0 109.886 175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -107.79 87.21 3.46 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 173.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.444 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 26.4 Cg_exo -60.74 -29.66 88.74 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.289 2.659 . . . . 0.0 115.072 -165.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -96.92 -11.49 24.63 Favored 'General case' 0 C--N 1.311 -1.098 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.604 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -139.42 67.52 38.23 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.508 -177.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.84 128.08 13.73 Favored 'Trans proline' 0 C--N 1.344 0.313 0 C-N-CA 122.88 2.387 . . . . 0.0 112.301 -175.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 61.7 t -99.79 123.31 52.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.202 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 21.7 p -115.18 131.14 57.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.225 175.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -128.48 165.61 20.36 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.812 0.339 . . . . 0.0 110.095 175.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.412 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 22.9 t -122.3 141.97 50.97 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.439 177.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -130.17 130.18 44.39 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.844 0.354 . . . . 0.0 110.744 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.84 106.97 19.18 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 172.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 95' ' ' LYS . 54.9 mt -95.96 113.78 31.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.797 0 CA-C-O 121.104 0.478 . . . . 0.0 111.029 -174.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm -100.31 -175.21 2.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.836 177.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -63.59 -54.76 30.85 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.661 0.743 . . . . 0.0 109.844 174.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -69.54 -68.49 0.41 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.539 -1.21 . . . . 0.0 111.708 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -138.13 -164.18 9.88 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.41 -0.9 . . . . 0.0 112.982 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.8 p -125.03 141.54 44.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.898 0.38 . . . . 0.0 110.858 -178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -118.3 119.59 35.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.501 ' CD ' ' H ' ' A' ' 130' ' ' GLU . 1.1 pm0 -84.92 123.92 31.05 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.818 0.818 . . . . 0.0 111.66 -174.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.504 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -94.88 130.18 41.58 Favored 'General case' 0 N--CA 1.446 -0.661 0 CA-C-N 114.807 -1.088 . . . . 0.0 108.488 175.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -92.21 152.13 20.01 Favored 'General case' 0 C--N 1.317 -0.818 0 C-N-CA 120.7 -0.4 . . . . 0.0 110.752 -174.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.6 mm -91.43 124.57 44.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.913 -174.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.469 HG13 ' SD ' ' A' ' 1' ' ' MET . 37.7 mm -100.51 121.06 50.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 177.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.531 HD21 ' HE3' ' A' ' 9' ' ' MET . 78.8 mt -97.24 147.4 24.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.15 -179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -142.96 160.9 39.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.889 173.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 37.9 mp0 -72.65 -29.27 63.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.549 0.69 . . . . 0.0 111.158 -176.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -152.98 -174.1 4.81 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.154 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.9 mt -85.49 177.7 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.314 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 72.76 159.97 0.22 Allowed 'General case' 0 N--CA 1.465 0.275 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 173.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.9 t-80 -179.91 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 114.236 -1.347 . . . . 0.0 110.329 177.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.0 t-80 -143.88 21.58 1.78 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-O 120.916 0.389 . . . . 0.0 111.486 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -112.61 151.55 29.97 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m80 61.39 -162.82 0.27 Allowed 'General case' 0 C--O 1.236 0.375 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 73.1 m80 72.09 -178.65 0.21 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 174.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.797 178.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.671 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 27.2 ptt? . . . . . 0 N--CA 1.485 1.306 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.442 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.7 tt -107.78 135.57 46.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 176.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.503 HG21 ' HD2' ' A' ' 136' ' ' LYS . 21.4 m -125.71 134.13 51.9 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 0.0 111.406 -176.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.438 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.5 pp -148.91 164.49 34.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.219 175.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.618 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 54.5 p -94.18 176.05 6.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.881 -176.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -66.66 -36.6 82.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.04 0.448 . . . . 0.0 110.309 176.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -55.72 -42.22 74.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.35 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.618 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.5 mm100 -67.82 -39.28 83.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.166 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.474 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 47.5 tpp -60.12 -47.41 86.01 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 175.314 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -59.2 -41.34 88.33 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.504 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -58.28 -47.48 83.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -67.57 -42.55 82.38 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.628 178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 9' ' ' MET . 52.9 mt -60.76 -46.23 91.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.673 -179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.96 -44.0 94.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.83 0.348 . . . . 0.0 110.494 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.462 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 75.4 t60 -64.56 -43.01 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.833 177.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.606 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -60.11 -52.11 66.75 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.354 -178.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HA ' HD12 ' A' ' 20' ' ' LEU . 78.5 mtp180 -62.94 -35.97 81.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.925 -177.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -56.73 -41.37 77.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.234 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -97.13 1.76 50.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.728 -0.669 . . . . 0.0 112.586 -174.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.686 HD11 ' HG ' ' A' ' 110' ' ' LEU . 60.2 mt -70.16 140.95 88.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 122.116 -0.365 . . . . 0.0 110.378 177.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -101.94 30.57 10.15 Favored 'Cis proline' 0 N--CA 1.456 -0.71 0 C-N-CA 124.449 -1.063 . . . . 0.0 113.084 -0.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.61 5.65 47.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.369 0.604 . . . . 0.0 109.899 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.576 ' HG2' ' HD3' ' A' ' 84' ' ' PRO . 48.9 mt-10 75.44 153.79 0.15 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 114.585 -1.188 . . . . 0.0 111.406 177.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -129.78 149.94 51.31 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.899 -175.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 45.5 t -138.06 154.1 49.29 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.988 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.589 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -171.26 -177.01 40.77 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 121.041 -0.6 . . . . 0.0 112.319 179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.519 HD11 ' HG3' ' A' ' 62' ' ' GLN . 96.0 mt -124.27 162.16 24.31 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.939 0.4 . . . . 0.0 110.434 -178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 106' ' ' LEU . 97.7 mt -119.83 134.57 55.19 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.197 178.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.39 148.83 16.82 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.041 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 156.08 -136.91 5.26 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.38 178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.489 ' HD2' ' OE2' ' A' ' 140' ' ' GLU . 67.4 mtp180 -110.61 132.68 53.98 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HB3' ' CD2' ' A' ' 77' ' ' LEU . 7.0 ppt_? -131.02 148.7 52.78 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.748 177.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -115.86 -156.16 0.6 Allowed 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -85.42 -28.28 30.57 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.836 176.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -116.11 -33.45 5.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.732 0.301 . . . . 0.0 111.093 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.521 ' HA ' ' O ' ' A' ' 1' ' ' MET . 32.8 m-20 -110.75 154.21 24.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.8 0.809 . . . . 0.0 112.523 -172.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -130.35 131.35 45.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.328 -1.306 . . . . 0.0 109.617 177.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.7 m-90 -122.43 112.67 18.35 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' HD11 ' A' ' 77' ' ' LEU . 6.5 t -86.21 119.83 35.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.585 -0.279 . . . . 0.0 111.08 -177.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -96.4 -30.06 13.6 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.837 0.351 . . . . 0.0 110.179 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -148.24 137.34 21.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.327 0.584 . . . . 0.0 110.953 176.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 97.5 t -88.22 132.48 33.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.219 172.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -111.53 89.75 11.24 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.158 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.486 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 22.4 Cg_exo -64.8 107.6 0.92 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.715 2.276 . . . . 0.0 112.068 176.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.589 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.5 mm? -83.93 -166.25 1.36 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.103 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.534 ' CG ' ' H ' ' A' ' 47' ' ' ASN . 65.5 t30 -104.53 -153.39 0.48 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.918 0.39 . . . . 0.0 109.979 -173.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.593 ' OD1' ' HA ' ' A' ' 50' ' ' GLN . 10.2 t-20 -145.88 95.07 2.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 58' ' ' ASP . 43.9 mt -74.71 -56.92 4.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.595 177.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.508 ' H ' ' HB2' ' A' ' 56' ' ' SER . 13.0 m-20 -92.1 97.68 11.07 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 108.509 -0.922 . . . . 0.0 108.509 176.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.593 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 49.6 mt-30 -52.11 -49.62 63.28 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.8 0.688 . . . . 0.0 110.744 -175.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 54' ' ' HIS . 15.5 m 56.98 161.68 0.08 OUTLIER Pre-proline 0 CA--C 1.538 0.516 0 O-C-N 124.177 0.923 . . . . 0.0 113.327 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 1.7 Cg_endo -88.16 -50.38 0.03 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.717 0 C-N-CA 122.847 2.365 . . . . 0.0 112.341 169.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -112.92 2.27 15.78 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.551 -175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.437 ' O ' ' HB2' ' A' ' 51' ' ' SER . 64.0 m170 -131.06 -174.55 3.41 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.091 0.472 . . . . 0.0 111.485 -169.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -147.94 -173.83 4.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.56 -177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.508 ' HB2' ' H ' ' A' ' 49' ' ' ASP . 9.0 t -127.61 168.36 15.11 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.738 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -101.43 -3.03 29.4 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 175.764 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.582 ' HA ' HD12 ' A' ' 48' ' ' LEU . 15.6 m-20 45.0 71.04 1.65 Allowed Pre-proline 0 N--CA 1.457 -0.107 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.916 -176.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -49.97 -37.29 46.5 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.065 2.51 . . . . 0.0 113.206 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -70.16 -45.42 66.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.151 0.5 . . . . 0.0 110.13 -178.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -69.99 -36.72 75.37 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.642 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.519 ' HG3' HD11 ' A' ' 27' ' ' LEU . 65.2 tt0 -59.7 -48.97 79.55 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.059 179.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.0 tp -66.91 -31.57 72.25 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.094 0.473 . . . . 0.0 110.313 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 45.3 m -69.09 -42.2 76.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.02 178.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -68.78 -45.62 70.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.497 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 78.7 t -62.42 -34.86 66.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.119 0.485 . . . . 0.0 110.801 -178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -59.6 -42.58 92.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.774 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.65 -38.94 73.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.28 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 64.9 mtt -56.31 -48.25 77.05 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.539 -178.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -71.79 -23.64 61.61 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.869 0.366 . . . . 0.0 111.013 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.472 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -70.84 -33.98 71.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.308 0.575 . . . . 0.0 109.659 176.394 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -83.69 -15.31 49.25 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.08 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.51 23.55 10.12 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.663 178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.431 ' HZ2' ' HB2' ' A' ' 142' ' ' HIS . 4.7 m-90 -126.29 171.8 10.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.59 0.233 . . . . 0.0 110.53 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -131.08 166.79 27.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.011 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 51.6 ttp -82.04 127.28 32.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.16 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD11 ' HA ' ' A' ' 39' ' ' VAL . 17.2 mt -88.04 -26.86 22.36 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.46 0.648 . . . . 0.0 110.374 -177.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 151.92 -150.05 21.86 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.775 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.71 166.37 23.1 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.14 0.495 . . . . 0.0 110.807 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -135.15 141.04 45.86 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.208 -0.905 . . . . 0.0 109.405 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.438 ' NE2' HG12 ' A' ' 107' ' ' ILE . 15.2 p-80 -142.02 139.11 32.27 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.556 178.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 14.0 m -113.71 138.43 50.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.321 -171.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -116.1 144.77 33.5 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.29 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' HD3' ' HG2' ' A' ' 23' ' ' GLU . 13.6 Cg_endo -55.93 -55.99 2.51 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 123.481 2.788 . . . . 0.0 113.732 -171.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -159.47 70.38 0.47 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.238 0.542 . . . . 0.0 111.247 -177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.5 p -139.35 163.87 42.66 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.006 175.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -61.8 145.55 97.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.603 2.202 . . . . 0.0 112.05 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.98 67.43 5.78 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.027 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -141.55 144.87 35.14 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.856 178.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.4 147.23 82.44 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.947 2.431 . . . . 0.0 113.177 -173.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 11.3 m -107.95 -175.51 2.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.595 175.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.05 -38.74 87.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 179.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -63.42 -39.67 95.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -61.06 -41.69 97.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.897 0.379 . . . . 0.0 110.033 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.617 ' HA ' HG21 ' A' ' 123' ' ' ILE . 60.2 tttp -69.37 -30.68 68.74 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.61 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 96' ' ' ARG . 57.7 mtt180 -71.41 -32.14 68.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.771 0.32 . . . . 0.0 111.176 177.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 93.7 mt -80.87 -4.27 54.2 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.58 94.41 8.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.192 0.52 . . . . 0.0 110.237 177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -86.49 -32.76 20.61 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.899 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -131.31 155.55 81.35 Favored Pre-proline 0 N--CA 1.448 -0.526 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 174.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.488 ' CB ' ' HG2' ' A' ' 124' ' ' LYS . 83.3 Cg_endo -89.11 -2.71 6.19 Favored 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 123.099 2.533 . . . . 0.0 113.889 -176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.0 m -93.01 -35.75 13.09 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -172.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 55.8 mt -68.34 154.03 42.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.035 0.445 . . . . 0.0 111.249 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 9.2 t -100.92 132.8 46.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.319 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -110.75 103.63 12.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.622 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.527 ' HG ' ' HB3' ' A' ' 120' ' ' SER . 8.0 mp -91.56 136.16 33.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.241 0.543 . . . . 0.0 111.47 -177.317 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.438 HG12 ' NE2' ' A' ' 81' ' ' HIS . 59.0 mt -118.63 121.22 66.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.54 -0.754 . . . . 0.0 109.923 177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 82' ' ' SER . 61.4 mt -105.07 124.19 59.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 24.7 m -108.74 123.12 48.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.844 0.354 . . . . 0.0 111.145 -178.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.686 ' HG ' HD11 ' A' ' 20' ' ' LEU . 3.3 mm? -95.23 20.21 9.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.43 178.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.88 -30.72 67.97 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-O 121.546 0.689 . . . . 0.0 110.464 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -124.62 87.82 54.15 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.293 177.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -62.17 -19.69 67.44 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.866 2.377 . . . . 0.0 113.767 -174.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -88.02 -19.42 27.18 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.145 0.498 . . . . 0.0 110.501 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -142.05 74.05 21.84 Favored Pre-proline 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.44 178.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -63.25 114.28 2.42 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.452 2.101 . . . . 0.0 112.127 -175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 62.1 t -91.54 119.62 39.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.306 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 4.2 p -117.85 139.14 51.53 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.727 173.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -134.31 163.15 30.3 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.952 0.406 . . . . 0.0 110.192 173.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.527 ' HB3' ' HG ' ' A' ' 106' ' ' LEU . 2.0 p -119.35 133.81 55.54 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.875 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -126.69 132.4 51.17 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.117 0.484 . . . . 0.0 111.154 -179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 61.8 mt -97.62 106.27 18.55 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.617 HG21 ' HA ' ' A' ' 95' ' ' LYS . 43.0 mt -95.16 108.99 21.67 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.951 0 CA-C-O 121.177 0.513 . . . . 0.0 110.527 -174.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.488 ' HG2' ' CB ' ' A' ' 101' ' ' PRO . 94.5 mttt -108.12 179.59 4.17 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.515 -177.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.27 -58.86 5.76 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.653 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -61.96 -42.68 99.39 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.721 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -175.47 176.12 47.32 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.545 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.1 p -98.98 139.75 20.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.795 0.331 . . . . 0.0 110.245 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -115.06 130.95 57.06 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -85.19 125.35 32.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.401 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.671 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 9.8 tp10 -98.23 137.65 36.67 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.3 144.23 26.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.983 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.442 HG12 ' CG2' ' A' ' 2' ' ' ILE . 53.7 mt -108.77 131.39 59.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.73 -175.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.495 HG13 ' SD ' ' A' ' 1' ' ' MET . 27.3 mm -112.33 131.45 63.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.16 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 68.6 mt -92.56 127.86 38.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.822 0.344 . . . . 0.0 110.5 175.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.503 ' HD2' HG21 ' A' ' 3' ' ' THR . 31.7 mttm -121.67 164.48 17.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.117 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -106.34 -11.42 16.0 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.154 177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -95.95 146.68 24.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.32 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.5 HD23 HG21 ' A' ' 5' ' ' THR . 83.3 mt -105.82 -174.4 2.53 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.932 ' HG3' ' H ' ' A' ' 142' ' ' HIS . 3.8 tp10 -58.36 144.14 42.68 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.206 173.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -71.0 -10.43 59.75 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.089 0.471 . . . . 0.0 110.767 -177.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.932 ' H ' ' HG3' ' A' ' 140' ' ' GLU . 15.4 m170 -88.01 -3.21 58.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.479 0.657 . . . . 0.0 110.04 175.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.505 ' HD2' ' HB3' ' A' ' 140' ' ' GLU . 66.5 m-70 -111.52 99.43 8.19 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 174.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -76.32 23.22 0.15 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -173.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 65.5 t-80 68.49 127.43 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.413 0.685 . . . . 0.0 111.734 178.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 . . . . . 0 C--O 1.244 0.786 0 CA-C-O 118.444 -0.789 . . . . 0.0 109.297 176.454 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.553 ' HA ' ' OE2' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 CA-C-O 120.653 0.263 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.563 HG22 ' HG3' ' A' ' 131' ' ' GLU . 3.2 tt -114.93 132.86 62.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.216 0.532 . . . . 0.0 110.576 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.478 HG21 ' HD2' ' A' ' 136' ' ' LYS . 19.9 m -123.71 132.62 53.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.346 177.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.541 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.2 pp -143.32 163.95 31.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 174.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.595 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 28.8 p -96.48 167.48 11.13 Favored 'General case' 0 C--N 1.313 -0.984 0 C-N-CA 120.836 -0.345 . . . . 0.0 110.963 -172.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -61.49 -34.73 75.98 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.343 175.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 44.0 tttp -58.12 -49.08 78.21 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.779 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.595 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.7 mm100 -62.36 -41.65 98.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.33 178.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -58.97 -47.53 84.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.016 175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.34 -40.39 94.06 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.406 178.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -63.54 -42.14 98.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.193 177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.4 mtm -69.26 -44.91 70.97 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.9 0.381 . . . . 0.0 110.281 177.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -60.48 -41.09 93.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.179 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.74 -44.79 96.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.652 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.497 ' ND1' ' HB3' ' A' ' 44' ' ' PRO . 76.9 t60 -63.15 -41.57 99.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.594 178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.532 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -59.42 -52.33 66.08 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.053 178.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.472 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 52.4 mtt180 -66.95 -32.45 73.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.707 -178.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -64.41 -41.36 96.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.465 178.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -98.31 14.21 28.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.517 -173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.472 ' HG ' ' HA ' ' A' ' 17' ' ' ARG . 50.7 mt -62.15 149.21 87.35 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 120.655 0.264 . . . . 0.0 110.429 177.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -92.96 34.05 8.86 Favored 'Cis proline' 0 N--CA 1.462 -0.381 0 C-N-CA 123.807 -1.331 . . . . 0.0 113.563 3.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.45 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.9 OUTLIER -82.51 -174.31 5.11 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 176.187 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' OE1' ' HB2' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -90.09 -21.13 22.45 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.853 0.359 . . . . 0.0 111.611 -178.693 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.548 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 61.73 100.13 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.787 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.449 ' HB2' ' OE1' ' A' ' 23' ' ' GLU . 47.2 t -113.76 166.69 11.31 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.103 0.478 . . . . 0.0 110.294 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.546 ' HA2' ' HB2' ' A' ' 45' ' ' LEU . . . -174.91 -158.46 18.98 Favored Glycine 0 N--CA 1.445 -0.738 0 N-CA-C 110.713 -0.955 . . . . 0.0 110.713 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.1 mt -124.53 154.5 40.5 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 117.132 0.466 . . . . 0.0 110.395 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD12 HD13 ' A' ' 106' ' ' LEU . 63.7 mt -114.33 138.57 50.35 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.438 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.755 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -132.28 158.5 22.98 Favored Glycine 0 N--CA 1.442 -0.921 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.144 -179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 163.09 -147.1 12.56 Favored Glycine 0 N--CA 1.442 -0.926 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.672 178.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.462 ' HD2' ' OE1' ' A' ' 40' ' ' GLU . 58.1 mtt180 -113.09 131.31 55.87 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 120.84 0.352 . . . . 0.0 110.851 -177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 36' ' ' ASP . 63.5 ttt180 -117.42 121.62 41.56 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -131.46 133.87 45.61 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.748 -175.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 69.96 -102.44 0.99 Allowed Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 109.101 -1.599 . . . . 0.0 109.101 -166.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -132.04 -6.05 3.49 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 165.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 12.8 m-20 -74.8 146.41 42.09 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 121.419 0.628 . . . . 0.0 110.41 -179.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.536 ' HD3' ' O ' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -130.59 121.49 25.76 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.146 -173.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.419 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 8.1 m-90 -114.16 131.38 56.45 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.626 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 46.9 t -85.77 112.58 22.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.019 -173.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' OE1' ' HD2' ' A' ' 31' ' ' ARG . 25.9 mt-10 -118.2 2.58 11.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.828 0.347 . . . . 0.0 110.473 177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' NE ' ' HA ' ' A' ' 41' ' ' ARG . 1.4 tpm_? -151.14 136.28 17.53 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-O 121.046 0.451 . . . . 0.0 111.375 173.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.5 t -109.94 137.19 43.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 174.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -131.03 90.2 40.01 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-O 120.632 0.253 . . . . 0.0 111.633 -178.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HB3' ' ND1' ' A' ' 15' ' ' HIS . 28.7 Cg_exo -62.65 123.02 11.6 Favored 'Trans proline' 0 CA--C 1.536 0.589 0 C-N-CA 123.042 2.495 . . . . 0.0 112.826 177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.546 ' HB2' ' HA2' ' A' ' 26' ' ' GLY . 3.3 mm? -112.9 -169.58 1.51 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.596 -0.275 . . . . 0.0 110.631 176.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -107.39 147.91 29.76 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 111.256 -176.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.423 HD22 ' CD ' ' A' ' 23' ' ' GLU . 55.3 t-20 -104.22 119.22 38.46 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.858 0.361 . . . . 0.0 110.03 178.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.9 mm? -75.21 -30.12 60.5 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.741 -178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -74.19 -38.99 63.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 63.08 37.11 11.8 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.01 -0.996 . . . . 0.0 110.134 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.635 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 61.7 m -119.03 144.68 36.4 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.583 -178.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HB3' ' HG2' ' A' ' 84' ' ' PRO . 11.9 Cg_exo -71.5 -15.98 30.74 Favored 'Trans proline' 0 CA--C 1.53 0.312 0 C-N-CA 122.888 2.392 . . . . 0.0 112.564 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -107.95 -5.96 16.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.322 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.635 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 38.6 m170 -126.51 140.32 52.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.822 0.344 . . . . 0.0 111.061 -175.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 20.7 p90 -125.31 114.04 18.38 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.385 174.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.4 m -144.9 131.44 19.84 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.74 -179.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.449 ' HA ' HD23 ' A' ' 48' ' ' LEU . 9.4 ptm -129.41 161.52 30.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.232 -173.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.549 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 2.9 t70 -85.88 142.3 36.49 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.61 -175.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 35.9 Cg_exo -59.71 -45.13 26.81 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.045 2.497 . . . . 0.0 113.919 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.49 ' HG3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.66 -28.42 58.73 Favored 'General case' 0 C--O 1.235 0.318 0 C-N-CA 120.271 -0.571 . . . . 0.0 111.774 -174.034 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.25 -34.51 68.31 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 119.689 -0.804 . . . . 0.0 109.728 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.549 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 57.4 mt-30 -62.1 -48.12 81.59 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.197 174.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 64.1 tp -57.15 -44.86 83.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.138 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 43.7 m -62.78 -36.18 82.27 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.181 178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 74.7 t -64.01 -36.8 78.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.088 0.471 . . . . 0.0 110.625 179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.497 ' O ' ' HG3' ' A' ' 70' ' ' ARG . 40.6 ttmt -59.63 -40.26 87.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.412 177.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.57 ' HA ' ' HE3' ' A' ' 71' ' ' LYS . 15.4 t70 -72.82 -35.65 67.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.821 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.755 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.6 tpp -59.95 -48.72 80.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.43 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 67' ' ' LYS . 0.2 OUTLIER -70.36 -23.6 62.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.321 -179.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.57 ' HE3' ' HA ' ' A' ' 68' ' ' ASP . 34.2 ttmt -59.5 -37.64 78.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.012 -178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -88.42 -20.78 24.79 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.019 0.438 . . . . 0.0 110.439 177.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.62 -10.36 9.11 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.552 -0.833 . . . . 0.0 112.852 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.6 m0 -80.75 168.29 18.98 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.254 0.55 . . . . 0.0 111.359 -178.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.82 165.29 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.58 -0.737 . . . . 0.0 109.353 174.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.2 ptm -78.36 141.14 38.61 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.3 mt -118.67 14.2 13.46 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.29 0.567 . . . . 0.0 110.564 -177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.15 -149.31 18.73 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.784 -177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.8 p-10 -142.81 177.37 8.38 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.102 0.477 . . . . 0.0 110.969 -178.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -144.04 148.67 35.52 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.253 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.41 ' CE1' HG12 ' A' ' 107' ' ' ILE . 38.8 p-80 -159.78 146.32 16.19 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 173.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.419 ' HB2' ' HB ' ' A' ' 108' ' ' ILE . 44.9 t -114.36 138.57 50.37 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.004 0.431 . . . . 0.0 110.928 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.538 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 38.7 m170 -84.95 140.67 37.35 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 174.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.7 Cg_exo -78.41 -56.02 0.04 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.654 -176.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -130.3 41.58 3.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.389 0.614 . . . . 0.0 110.238 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.538 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -144.46 156.03 57.04 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.557 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.35 179.57 0.85 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 123.092 2.528 . . . . 0.0 113.096 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -90.82 -1.21 57.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.306 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -73.87 145.04 83.5 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.838 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.64 124.63 11.32 Favored 'Trans proline' 0 C--O 1.237 0.467 0 C-N-CA 122.323 2.015 . . . . 0.0 112.366 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.7 t -78.28 174.17 11.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 176.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.01 -33.58 69.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.121 0.486 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 6.3 mm-40 -73.37 -47.39 42.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.011 179.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 10.0 m-20 -58.98 -40.07 83.67 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 121.379 0.609 . . . . 0.0 110.179 178.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -59.72 -47.91 83.78 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.898 -177.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -75.37 -27.99 59.34 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -173.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 86.0 mt -74.21 -3.86 32.41 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.514 ' HB2' HD12 ' A' ' 123' ' ' ILE . . . -84.99 91.68 8.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.051 0.453 . . . . 0.0 110.573 177.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -103.53 -5.96 22.23 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.226 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.9 88.44 51.77 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.613 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -67.24 -4.91 12.56 Favored 'Trans proline' 0 CA--C 1.533 0.458 0 C-N-CA 122.837 2.358 . . . . 0.0 113.177 -178.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 45.0 m -88.84 -22.21 23.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 110.105 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 85.3 mt -92.55 145.58 24.34 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.319 177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.4 m -89.23 120.53 30.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.693 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -94.32 105.21 17.19 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.508 HD13 HD12 ' A' ' 28' ' ' LEU . 8.6 mp -88.27 132.24 34.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.113 0.482 . . . . 0.0 110.993 179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.458 ' HB ' ' HE2' ' A' ' 121' ' ' PHE . 64.2 mt -121.28 119.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.858 177.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 82' ' ' SER . 60.5 mt -104.79 144.3 14.88 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.276 178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 23.0 t -112.18 109.7 19.55 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.761 0.315 . . . . 0.0 110.419 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.36 9.03 24.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.143 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.34 -18.3 65.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.687 177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -129.52 85.98 57.21 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 177.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.99 -14.64 35.63 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.748 2.298 . . . . 0.0 113.718 -173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -82.94 -23.05 33.63 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.089 0.471 . . . . 0.0 110.327 178.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HE3' ' HB3' ' A' ' 115' ' ' LYS . 21.2 mtpp -152.32 76.96 6.85 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.81 176.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_exo -60.93 117.64 4.43 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.503 2.135 . . . . 0.0 111.325 -178.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 45.7 t -77.86 119.57 26.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 51.2 m -117.58 129.43 55.77 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.066 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 55.1 mmtt -138.07 163.95 30.32 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.111 0.482 . . . . 0.0 110.052 174.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.46 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 14.2 t -118.13 124.44 48.01 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.458 ' HE2' ' HB ' ' A' ' 107' ' ' ILE . 83.2 m-85 -116.4 130.4 56.74 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-O 121.418 0.628 . . . . 0.0 111.434 -175.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 99.3 mt -96.71 107.36 19.8 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 169.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 98' ' ' ALA . 59.5 mt -90.05 108.31 19.29 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.576 0.703 . . . . 0.0 110.923 -173.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 76.7 mttt -78.48 176.42 9.41 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.382 177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -45.88 -54.65 7.81 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.386 0.613 . . . . 0.0 110.788 -177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -140.79 70.42 1.35 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.686 172.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.08 135.21 2.09 Favored Glycine 0 N--CA 1.442 -0.94 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.949 175.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.3 p -101.5 125.52 55.53 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.25 117.27 33.7 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -85.39 125.89 33.34 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.402 0.62 . . . . 0.0 111.82 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.563 ' HG3' HG22 ' A' ' 2' ' ' ILE . 10.7 tp10 -102.29 136.1 42.72 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.419 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -82.01 139.65 34.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.893 0.378 . . . . 0.0 111.53 -171.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.436 HD13 ' CG2' ' A' ' 2' ' ' ILE . 32.9 mm -92.52 117.15 35.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.829 -176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 43.6 mm -101.09 123.33 54.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.626 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 61.2 mt -90.62 127.45 36.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.934 0.397 . . . . 0.0 110.626 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.69 ' HA ' ' HE3' ' A' ' 136' ' ' LYS . 0.1 OUTLIER -108.91 162.82 13.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.478 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.478 ' OE2' ' HE2' ' A' ' 136' ' ' LYS . 3.4 mp0 -73.32 -30.55 63.44 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.241 -173.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -177.41 163.73 2.03 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.009 -174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 99.4 mt -57.62 146.6 29.94 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.259 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 45.49 21.32 0.07 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.828 1.251 . . . . 0.0 113.342 -176.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -123.12 87.26 2.72 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 122.05 -0.406 . . . . 0.0 110.458 178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.627 ' HA ' ' HD3' ' A' ' 136' ' ' LYS . 32.4 m80 -100.29 46.16 0.96 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.12 -176.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.4 m80 61.86 85.96 0.12 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 -168.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -159.38 76.14 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.24 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 67.89 153.09 0.09 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.315 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 t-80 . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.491 -0.766 . . . . 0.0 110.227 178.393 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.537 ' HG3' HD13 ' A' ' 134' ' ' ILE . 38.7 ttp . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 121.137 0.494 . . . . 0.0 110.401 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.493 HD13 HD21 ' A' ' 106' ' ' LEU . 15.5 tt -106.66 138.49 32.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 CA-C-N 115.811 -0.632 . . . . 0.0 109.824 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 92.2 m -122.63 123.65 41.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.301 0.572 . . . . 0.0 111.098 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -141.19 164.18 30.94 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.106 173.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.668 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 37.7 p -91.83 163.38 14.07 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.043 0.449 . . . . 0.0 111.146 -173.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 1.1 tmmt? -56.12 -40.58 73.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.617 175.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -57.77 -48.48 79.54 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.611 175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.668 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 12.0 mm100 -59.69 -42.69 93.55 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.056 0.455 . . . . 0.0 109.867 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.7 tpp -60.08 -45.54 92.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.133 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -61.37 -39.61 91.27 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.162 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.64 -43.8 93.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.005 0.431 . . . . 0.0 110.96 176.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 68.4 mtm -69.87 -47.19 63.56 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.4 mt -58.84 -44.16 90.89 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.893 -178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.52 -41.77 99.07 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.77 179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.03 -39.39 83.1 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.967 0.413 . . . . 0.0 110.487 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.493 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.79 -52.39 65.66 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.216 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.401 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 35.5 mtm180 -65.82 -32.43 73.96 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.952 0.406 . . . . 0.0 110.744 -179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -59.05 -43.44 91.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.497 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.94 18.5 19.46 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -172.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.2 mt -72.65 137.82 80.34 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-O 120.822 0.344 . . . . 0.0 110.944 178.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 55.2 Cg_endo -99.64 105.26 0.23 Allowed 'Cis proline' 0 N--CA 1.452 -0.942 0 C-N-CA 124.014 -1.244 . . . . 0.0 113.391 -0.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -142.21 -174.81 4.21 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 173.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HA ' ' O ' ' A' ' 82' ' ' SER . 0.5 OUTLIER -76.96 -23.87 52.36 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 176.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . 45.9 48.64 12.11 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 114.893 -1.049 . . . . 0.0 112.369 172.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.641 ' HB3' ' HA ' ' A' ' 81' ' ' HIS . 1.8 p -114.3 167.64 10.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.28 0.562 . . . . 0.0 112.287 -170.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -162.39 -145.34 4.3 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.462 -177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.12 159.48 29.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.985 0.393 . . . . 0.0 111.317 -176.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -125.88 135.58 52.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.639 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.64 159.2 18.29 Favored Glycine 0 N--CA 1.449 -0.463 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.213 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 154.19 -136.42 5.22 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.97 -0.633 . . . . 0.0 111.947 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -121.54 130.4 53.51 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.925 0.393 . . . . 0.0 110.498 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.465 ' HB3' HD22 ' A' ' 77' ' ' LEU . 15.8 ptt180 -119.22 132.93 56.0 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.571 0.701 . . . . 0.0 111.205 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -115.11 168.04 10.29 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.52 -33.21 84.02 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.363 -0.922 . . . . 0.0 112.364 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.0 m-20 -98.94 -39.82 8.38 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -177.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.492 ' C ' ' HD2' ' A' ' 37' ' ' ARG . 85.9 m-20 -120.46 157.2 29.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.884 0.85 . . . . 0.0 112.353 -173.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.492 ' HD2' ' C ' ' A' ' 36' ' ' ASP . 2.2 mpt_? -129.83 123.15 30.2 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.474 -1.239 . . . . 0.0 108.606 178.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 10.1 m-90 -114.62 112.51 23.01 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.934 0.397 . . . . 0.0 110.844 -178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 HD12 ' A' ' 77' ' ' LEU . 27.2 t -95.9 121.45 46.45 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.417 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -121.8 -25.13 5.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.689 0.28 . . . . 0.0 111.103 175.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.6 tpt180 -116.98 130.67 56.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.813 0.34 . . . . 0.0 111.036 -175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.0 t -114.19 133.78 59.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.374 177.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.413 ' HB2' ' HB2' ' A' ' 27' ' ' LEU . 94.5 m-85 -118.58 86.29 28.73 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.331 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -76.45 114.85 3.96 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.327 2.018 . . . . 0.0 112.299 -179.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.68 -179.38 3.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.932 0.396 . . . . 0.0 111.225 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -122.41 154.7 37.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.785 -179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -78.35 104.0 8.66 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.86 -36.32 74.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.261 0.553 . . . . 0.0 110.695 177.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -67.43 -21.18 65.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.444 -176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.1 tp60 64.85 11.73 7.17 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.67 0.748 . . . . 0.0 110.153 -175.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.713 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 14.9 m -105.52 143.99 27.93 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.884 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.83 -27.74 14.3 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.619 2.213 . . . . 0.0 113.57 -175.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -107.28 4.7 26.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.847 0.356 . . . . 0.0 110.938 -177.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.713 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 13.8 m170 -125.54 145.93 49.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.918 0.39 . . . . 0.0 111.204 -175.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -158.72 102.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.472 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 66.7 m -91.95 1.52 57.13 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.158 0.504 . . . . 0.0 111.522 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.752 ' HG2' ' H ' ' A' ' 58' ' ' ASP . 37.8 ttm 54.48 -169.88 0.06 Allowed 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.75 -1.113 . . . . 0.0 110.722 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.752 ' H ' ' HG2' ' A' ' 57' ' ' MET . 21.9 t70 -136.75 139.67 29.71 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 6.2 Cg_exo -76.05 -32.24 4.39 Favored 'Trans proline' 0 C--N 1.342 0.237 0 C-N-CA 122.94 2.426 . . . . 0.0 112.272 -178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.405 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 66.0 mtm180 -69.55 -39.1 77.62 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.873 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -65.59 -39.37 91.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.454 175.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.557 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 98.6 mt-30 -60.24 -49.13 78.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.625 177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 51.6 tp -58.17 -40.66 82.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.6 m -65.45 -40.36 93.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.502 177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.97 91.68 Favored 'General case' 0 C--O 1.226 -0.174 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.978 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 62' ' ' GLN . 98.5 t -59.85 -41.9 87.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.637 177.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -63.87 -44.9 91.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.401 179.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.91 -48.87 79.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.519 0.676 . . . . 0.0 110.337 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 17.5 ttm -59.63 -47.94 83.62 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.824 -1.08 . . . . 0.0 111.165 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -25.07 60.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.557 -178.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -65.08 -39.65 93.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.203 0.525 . . . . 0.0 110.425 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.483 ' HB3' ' CE3' ' A' ' 74' ' ' TRP . 50.3 m-80 -87.88 -19.84 26.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.172 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.55 31.85 9.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.631 -0.795 . . . . 0.0 112.722 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' ' HB3' ' A' ' 72' ' ' ASN . 0.9 OUTLIER -117.18 179.05 4.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.615 0.245 . . . . 0.0 111.024 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 29.4 m -130.62 169.15 21.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.242 -175.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.6 ttm -85.28 119.97 26.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.028 -175.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 32' ' ' ARG . 32.4 mt -86.02 -32.94 21.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 110.799 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.554 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.01 -143.76 10.8 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.008 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.455 ' HB3' HD23 ' A' ' 27' ' ' LEU . 6.4 p30 -142.35 164.99 28.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.176 0.513 . . . . 0.0 110.776 -179.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 40.0 p90 -123.04 138.43 54.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.501 177.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' HB3' ' A' ' 25' ' ' CYS . 11.8 m170 -121.44 158.58 28.06 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 123.778 0.674 . . . . 0.0 109.613 -179.26 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.501 ' HA ' ' O ' ' A' ' 108' ' ' ILE . 62.4 m -147.12 136.23 22.44 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 174.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.549 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 39.9 m170 -99.98 141.95 23.71 Favored Pre-proline 0 C--N 1.318 -0.797 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.177 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -76.42 -40.32 0.62 Allowed 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 122.658 2.238 . . . . 0.0 113.677 -174.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -146.43 29.12 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.179 0.514 . . . . 0.0 110.793 -176.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.549 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -136.26 154.57 77.29 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.635 -177.161 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -66.28 173.75 7.04 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 123.125 2.55 . . . . 0.0 113.135 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.47 82.82 8.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.796 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.468 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 44.9 ttm180 -161.93 141.94 7.71 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.325 -0.852 . . . . 0.0 108.736 177.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 4.7 Cg_exo -78.17 119.6 4.68 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.677 2.251 . . . . 0.0 111.987 178.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 18.5 m -76.03 -176.98 3.69 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 0.0 109.972 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.88 84.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.677 0.275 . . . . 0.0 111.449 -177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -74.53 -32.17 62.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.191 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -57.93 -40.17 79.78 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.05 0.452 . . . . 0.0 109.958 174.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 13.8 tmtt? -67.94 -31.75 71.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.244 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -27.45 69.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.934 0.397 . . . . 0.0 110.601 177.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.0 mt -84.33 11.98 7.49 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.368 -176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.63 84.81 4.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.967 0.413 . . . . 0.0 110.384 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -97.75 -9.51 26.49 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.478 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 7.3 m-20 -74.03 144.89 82.85 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.881 -0.6 . . . . 0.0 109.54 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 19.8 Cg_exo -65.98 -57.06 0.26 Allowed 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.239 1.959 . . . . 0.0 112.252 -176.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.4 m -157.05 30.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.554 HD13 ' HA2' ' A' ' 78' ' ' GLY . 89.7 mt -79.33 168.52 19.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.772 -176.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 43.6 m -86.44 122.49 30.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.881 0.372 . . . . 0.0 110.952 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -93.29 95.74 9.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.942 177.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.493 HD21 HD13 ' A' ' 2' ' ' ILE . 7.5 mp -76.32 128.46 34.92 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 177.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.1 mt -126.97 116.54 44.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-O 121.033 0.444 . . . . 0.0 110.402 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.501 ' O ' ' HA ' ' A' ' 82' ' ' SER . 57.2 mt -107.52 136.69 41.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.751 -0.658 . . . . 0.0 109.857 177.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 22.9 t -95.18 111.13 23.01 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.48 HD12 HD11 ' A' ' 20' ' ' LEU . 0.2 OUTLIER -101.77 33.25 3.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.442 -176.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.64 86.2 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.413 178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.489 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 16.1 tp10 -148.17 140.44 14.57 Favored Pre-proline 0 C--N 1.33 -0.282 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 7.7 Cg_exo -75.45 -5.28 16.41 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.779 2.319 . . . . 0.0 113.031 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.489 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 15.9 mm100 -63.43 -43.42 97.5 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.015 175.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -149.95 81.7 6.84 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.523 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.1 106.21 2.12 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.735 2.29 . . . . 0.0 110.904 175.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 56.0 t -75.12 122.67 29.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.242 -176.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 11.2 p -114.39 122.49 46.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -135.49 164.75 27.1 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -119.78 121.42 39.12 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -107.8 131.05 54.87 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.57 0.7 . . . . 0.0 111.235 -177.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 91.3 mt -102.87 107.63 18.54 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.99 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 66.1 mt -86.51 108.8 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.836 0.351 . . . . 0.0 110.229 -177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.11 170.08 8.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.043 176.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -49.38 -57.91 6.07 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.057 -0.974 . . . . 0.0 111.652 175.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -95.75 29.56 2.62 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.814 -1.085 . . . . 0.0 112.555 -172.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 136.39 161.93 9.3 Favored Glycine 0 C--N 1.329 0.166 0 C-N-CA 120.137 -1.03 . . . . 0.0 113.378 174.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 11.2 p -98.42 133.09 42.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.297 0.57 . . . . 0.0 110.841 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -116.57 135.81 53.5 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.689 -178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.19 131.22 39.97 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-O 121.368 0.604 . . . . 0.0 111.833 -175.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.419 ' HG2' ' OE2' ' A' ' 132' ' ' GLU . 4.8 tt0 -100.51 166.28 11.0 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.779 -179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.419 ' OE2' ' HG2' ' A' ' 131' ' ' GLU . 0.4 OUTLIER -100.65 146.8 26.73 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 121.241 0.543 . . . . 0.0 111.534 -177.251 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.6 mt -111.86 125.32 69.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.289 179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.537 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.7 mp -113.75 131.91 64.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.017 0.437 . . . . 0.0 109.917 176.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 87.0 mt -96.61 151.35 19.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.993 -176.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -129.72 156.08 44.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.484 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.89 -29.68 55.85 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 122.122 0.963 . . . . 0.0 110.663 -175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.453 ' HB3' ' CE1' ' A' ' 142' ' ' HIS . 37.8 tt0 -152.56 173.21 15.46 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-N 113.6 -1.637 . . . . 0.0 109.513 -175.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 92.4 mt -71.41 -166.21 0.17 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.121 0.263 . . . . 0.0 110.995 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 68.34 -170.75 0.18 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.422 -176.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.27 63.87 4.33 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 175.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 138' ' ' GLU . 0.1 OUTLIER -60.35 136.84 58.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.112 -0.949 . . . . 0.0 112.104 -174.342 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -140.27 110.33 6.52 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.989 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.7 m80 -147.39 144.14 28.48 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.32 -0.4 . . . . 0.0 112.059 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.4 t60 49.37 96.08 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.825 1.328 . . . . 0.0 113.532 167.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 . . . . . 0 C--O 1.246 0.9 0 CA-C-O 118.511 -0.757 . . . . 0.0 109.243 172.509 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.868 0.366 . . . . 0.0 110.71 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.4 tt -128.47 123.8 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 m -106.77 125.8 51.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.91 0.386 . . . . 0.0 111.388 -175.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.7 pp -145.25 164.93 29.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 174.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.662 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 45.1 p -100.64 164.84 11.69 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.646 -0.422 . . . . 0.0 111.505 -173.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -54.35 -41.81 69.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.576 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.0 tmtt? -56.53 -46.06 80.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.829 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.662 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.4 mm100 -63.96 -44.37 92.96 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.766 0.317 . . . . 0.0 110.284 179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 45.9 ttm -60.66 -45.84 92.61 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.466 178.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -58.96 -39.98 83.32 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.999 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -63.78 -41.1 98.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.354 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.8 mtm -69.7 -45.43 68.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.839 0.352 . . . . 0.0 110.65 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.82 -45.54 92.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.021 -178.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.7 -41.32 99.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.729 0.299 . . . . 0.0 110.895 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -68.85 -33.93 74.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.589 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.28 -41.0 81.66 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.354 0.597 . . . . 0.0 109.566 -179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -61.4 -42.83 99.35 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.241 175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -65.42 -36.99 85.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.466 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.57 -14.36 60.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -174.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 84.4 mt -56.96 143.62 70.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.866 0.365 . . . . 0.0 111.079 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -95.41 32.34 11.24 Favored 'Cis proline' 0 N--CA 1.461 -0.413 0 C-N-CA 124.091 -1.212 . . . . 0.0 113.119 3.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.6 -172.58 2.34 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.851 0.358 . . . . 0.0 110.552 177.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.8 OUTLIER -92.61 127.44 38.1 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.967 -177.407 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -71.33 138.06 48.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.396 177.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.7 p -143.22 168.23 20.26 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.573 -177.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 161.11 -172.58 37.4 Favored Glycine 0 N--CA 1.444 -0.783 0 N-CA-C 111.601 -0.6 . . . . 0.0 111.601 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.478 HD11 ' HG2' ' A' ' 62' ' ' GLN . 95.7 mt -123.82 154.41 39.63 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.796 0.331 . . . . 0.0 110.464 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.443 HD11 HD22 ' A' ' 106' ' ' LEU . 96.8 mt -121.62 134.07 54.99 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.6 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.68 155.1 17.04 Favored Glycine 0 N--CA 1.441 -1.013 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.773 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 158.55 -149.51 19.74 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttt180 -118.85 146.7 44.67 Favored 'General case' 0 N--CA 1.439 -0.999 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.441 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -128.2 138.4 52.45 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 174.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -149.23 140.86 23.47 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 67.47 -95.27 0.3 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 109.988 -1.245 . . . . 0.0 109.988 -169.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -146.01 13.46 1.29 Allowed 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 168.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -97.2 152.18 19.09 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.033 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.542 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.9 OUTLIER -130.05 133.71 46.9 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.869 -175.934 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -115.5 115.46 26.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.127 177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.3 t -89.29 108.71 19.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.27 -175.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.1 -5.16 13.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.269 0.557 . . . . 0.0 110.092 176.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.533 ' HD3' ' SD ' ' A' ' 69' ' ' MET . 16.6 mtt85 -134.75 124.65 25.54 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.921 179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.54 HG23 ' NE2' ' A' ' 8' ' ' GLN . 82.6 t -120.29 120.1 61.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.273 -0.422 . . . . 0.0 109.93 174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -119.14 86.91 33.42 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.56 178.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -75.83 97.72 1.13 Allowed 'Trans proline' 0 N--CA 1.455 -0.774 0 C-N-CA 122.996 2.464 . . . . 0.0 111.745 -178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.1 mt -86.58 173.21 9.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.511 -177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -104.57 155.15 19.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.391 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -79.72 104.72 10.51 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.714 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 4.3 mm? -64.18 -17.34 63.43 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.033 0.382 . . . . 0.0 112.033 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -102.55 -15.59 16.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.712 178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 43.51 37.47 1.47 Allowed 'General case' 0 N--CA 1.474 0.741 0 O-C-N 124.313 1.008 . . . . 0.0 111.817 -177.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 30.3 t -134.35 142.82 44.37 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.588 -176.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.8 Cg_exo -78.06 -6.3 15.72 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 123.05 2.5 . . . . 0.0 111.382 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -89.36 -8.48 53.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.588 175.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -131.46 -177.18 4.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.745 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -170.42 93.09 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.6 m -135.98 132.87 36.9 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.683 -177.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -111.94 8.46 20.3 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.602 178.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.714 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 21.1 t70 73.93 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.527 0 O-C-N 124.41 1.069 . . . . 0.0 110.962 179.22 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 17.9 Cg_exo -67.94 -36.9 16.61 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.728 2.285 . . . . 0.0 112.703 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -76.35 -37.16 57.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.069 -174.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -59.95 -47.21 86.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.325 0.583 . . . . 0.0 109.627 174.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.478 ' HG2' HD11 ' A' ' 27' ' ' LEU . 28.2 mt-30 -64.94 -47.79 76.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.928 178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.8 tp -56.72 -45.9 81.6 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.53 -177.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -63.81 -40.43 96.6 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.852 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.38 -45.57 75.87 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.092 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 62' ' ' GLN . 88.0 t -63.19 -41.23 92.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 110.718 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -62.96 -40.28 97.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.268 177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -58.73 -48.77 80.01 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.928 178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.533 ' SD ' ' HD3' ' A' ' 41' ' ' ARG . 2.9 mpp? -60.33 -47.26 86.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.074 176.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 70' ' ' ARG . 1.3 mmp_? -62.07 -35.92 80.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.87 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -58.07 -39.92 79.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.36 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.579 HD22 ' HZ3' ' A' ' 74' ' ' TRP . 15.1 t30 -95.36 2.31 54.6 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.295 -175.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 94.34 16.96 41.4 Favored Glycine 0 CA--C 1.519 0.297 0 C-N-CA 120.693 -0.765 . . . . 0.0 113.765 174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.579 ' HZ3' HD22 ' A' ' 72' ' ' ASN . 1.1 m-90 -105.39 -177.34 3.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.005 0.431 . . . . 0.0 111.425 179.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -135.14 170.21 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.773 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.4 ttp -86.6 126.48 34.53 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 175.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 37' ' ' ARG . 78.9 mt -87.72 -25.91 23.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.039 0.447 . . . . 0.0 110.935 -176.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.501 ' HA2' HD13 ' A' ' 103' ' ' LEU . . . 152.2 -142.64 9.55 Favored Glycine 0 N--CA 1.44 -1.06 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -152.46 173.79 14.69 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.012 0.434 . . . . 0.0 110.472 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -132.81 140.68 48.09 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.979 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.569 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 49.6 p-80 -142.32 137.49 30.59 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 177.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.482 ' OG ' ' HB ' ' A' ' 108' ' ' ILE . 11.8 m -113.58 155.23 25.8 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.844 -174.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.432 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 41.6 m170 -103.18 141.72 23.08 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 174.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 5.7 Cg_exo -79.26 -47.12 0.09 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.745 2.297 . . . . 0.0 113.086 -176.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.95 35.2 3.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.061 0.457 . . . . 0.0 110.504 -177.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.432 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -139.47 154.73 71.85 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.118 -177.522 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.88 166.2 4.15 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 123.405 2.737 . . . . 0.0 113.466 -177.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.69 29.97 0.67 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.792 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 8.2 ttm180 -109.81 141.71 24.27 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 174.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 17.0 Cg_exo -70.65 111.79 3.07 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 122.444 2.096 . . . . 0.0 111.255 172.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -67.76 173.77 4.1 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.492 178.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.584 ' O ' ' HG2' ' A' ' 96' ' ' ARG . . . -59.64 -40.52 87.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.988 0.423 . . . . 0.0 110.37 179.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.2 mp0 -67.33 -36.81 82.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.217 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -67.38 -39.77 85.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.23 179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.541 ' HE2' HG23 ' A' ' 123' ' ' ILE . 27.6 tptp -71.43 -30.03 65.59 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.865 177.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.584 ' HG2' ' O ' ' A' ' 92' ' ' ALA . 24.7 mmt180 -58.58 -34.59 71.24 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.807 0.337 . . . . 0.0 110.687 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 86.8 mt -92.1 16.09 12.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.498 -176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.775 ' HB1' HG21 ' A' ' 123' ' ' ILE . . . -92.01 101.02 13.57 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.105 0.479 . . . . 0.0 110.426 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.549 ' O ' ' HD3' ' A' ' 101' ' ' PRO . 90.4 m-85 -115.16 17.19 16.81 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.671 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.572 ' HB2' ' HB2' ' A' ' 103' ' ' LEU . 15.2 p-10 -109.16 87.44 4.85 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.66 0.743 . . . . 0.0 111.326 -178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.549 ' HD3' ' O ' ' A' ' 99' ' ' PHE . 7.3 Cg_exo -72.5 -15.76 27.55 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.009 2.473 . . . . 0.0 113.572 -172.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -127.04 7.7 6.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.971 0.415 . . . . 0.0 111.708 -175.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.572 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 80.4 mt -103.64 -164.37 1.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.037 -0.265 . . . . 0.0 110.34 -178.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 22.7 m -136.17 124.98 23.97 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.179 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.426 ' CD2' HG13 ' A' ' 123' ' ' ILE . 0.2 OUTLIER -89.34 97.31 11.12 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.225 176.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.443 HD22 HD11 ' A' ' 28' ' ' LEU . 8.7 mp -76.8 128.07 33.93 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 173.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.9 tp -119.06 131.47 71.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.347 -174.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.482 ' HB ' ' OG ' ' A' ' 82' ' ' SER . 63.2 mt -126.06 132.58 70.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.129 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 35.7 t -106.73 105.3 15.26 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.471 HD12 ' HB1' ' A' ' 16' ' ' ALA . 0.7 OUTLIER -103.85 51.93 0.77 Allowed 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.7 72.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.023 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' CG ' ' HD2' ' A' ' 113' ' ' PRO . 38.7 tt0 -155.66 142.34 13.38 Favored Pre-proline 0 C--N 1.327 -0.395 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 174.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.464 ' HD2' ' CG ' ' A' ' 112' ' ' GLU . 34.3 Cg_endo -65.41 -8.4 18.81 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.998 2.465 . . . . 0.0 113.862 -176.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -83.31 -24.18 32.26 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.796 0.331 . . . . 0.0 110.732 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -145.39 76.27 13.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.642 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.405 ' HA ' ' O ' ' A' ' 109' ' ' SER . 1.2 Cg_endo -85.01 105.2 0.92 Allowed 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 123.026 2.484 . . . . 0.0 111.193 174.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.4 t -81.32 122.88 37.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.517 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 54.5 m -114.3 125.29 53.72 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -134.55 165.88 24.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.208 0.527 . . . . 0.0 110.711 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 t -124.95 129.92 51.33 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.989 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -127.39 130.89 50.2 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.545 0.688 . . . . 0.0 111.109 178.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.443 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 68.9 mt -87.43 118.2 26.73 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.601 176.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.775 HG21 ' HB1' ' A' ' 98' ' ' ALA . 48.7 mm -86.12 114.76 26.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-O 121.268 0.556 . . . . 0.0 110.852 -173.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE2' ' HB2' ' A' ' 129' ' ' ASP . 66.2 mttm -105.49 170.83 7.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.442 175.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -60.83 -59.47 5.34 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.654 0.74 . . . . 0.0 110.556 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -82.08 -38.6 24.63 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 114.874 -1.057 . . . . 0.0 112.133 -173.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -142.83 -165.77 10.77 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.098 -1.048 . . . . 0.0 112.889 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.1 p -127.83 143.36 41.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.466 ' HB2' ' HE2' ' A' ' 124' ' ' LYS . 19.6 t70 -118.08 129.68 55.7 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -81.03 126.69 31.73 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.178 0.513 . . . . 0.0 111.198 -176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -105.23 145.73 30.25 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.511 -178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -90.3 132.16 35.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.105 179.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 54.8 mt -92.6 124.35 45.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.379 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 33.9 mm -100.66 112.81 34.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.1 mt -91.49 126.2 36.49 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.823 0.344 . . . . 0.0 111.126 -177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -109.19 154.6 22.14 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.9 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -83.24 -26.68 30.52 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.345 0.593 . . . . 0.0 110.716 -178.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -152.13 170.72 19.25 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.687 -178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 97.5 mt -70.1 -172.3 0.53 Allowed 'General case' 0 C--O 1.234 0.257 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 177.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 2.0 pt-20 -74.48 87.06 2.07 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-O 121.749 0.785 . . . . 0.0 111.45 -176.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 5.7 p80 -85.21 110.21 18.87 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 167.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.3 p-80 -68.44 -2.17 8.08 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -165.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 37.3 m80 67.36 177.47 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.964 0.888 . . . . 0.0 112.405 173.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -151.88 114.4 4.58 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 171.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -45.86 109.5 0.19 Allowed 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -166.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--O 1.249 1.076 0 CA-C-N 114.639 -1.164 . . . . 0.0 109.023 173.043 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.567 ' HG3' HD13 ' A' ' 134' ' ' ILE . 46.9 ttp . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 120.78 0.324 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG13 ' HB2' ' A' ' 37' ' ' ARG . 15.9 tt -130.21 133.32 64.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 174.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 62.9 m -119.83 124.13 45.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.163 0.506 . . . . 0.0 111.165 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 2.7 mp -129.24 164.87 22.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.733 HG21 HD23 ' A' ' 139' ' ' LEU . 43.6 p -102.72 166.63 10.38 Favored 'General case' 0 C--N 1.319 -0.75 0 C-N-CA 120.346 -0.542 . . . . 0.0 110.185 177.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 60.3 tttt -58.17 -37.93 75.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.262 0.553 . . . . 0.0 109.915 176.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -61.48 -48.02 83.02 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.075 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.638 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 5.9 mm100 -60.93 -37.69 83.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.983 0.42 . . . . 0.0 110.136 179.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.8 ttm -63.99 -46.94 82.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.924 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -57.84 -42.74 85.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.249 176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -61.63 -41.03 96.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.385 178.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 64.4 mtm -70.12 -46.24 65.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.771 0.32 . . . . 0.0 110.404 175.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.63 -38.73 85.74 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.599 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.07 -45.54 94.33 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.842 0.354 . . . . 0.0 110.382 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.422 ' HD2' ' HB1' ' A' ' 24' ' ' ALA . 65.5 t60 -65.46 -38.64 90.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.067 177.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.613 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -63.58 -52.3 61.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.532 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 78.9 mtm180 -60.95 -37.69 83.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.258 -178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -72.68 -41.41 65.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.345 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -27.26 67.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.358 -173.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.572 HD11 HD12 ' A' ' 110' ' ' LEU . 86.0 mt -52.62 139.19 40.29 Favored Pre-proline 0 C--N 1.332 -0.186 0 CA-C-O 120.489 0.185 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 20' ' ' LEU . 95.3 Cg_endo -99.01 35.12 7.89 Favored 'Cis proline' 0 N--CA 1.456 -0.722 0 C-N-CA 124.162 -1.182 . . . . 0.0 112.88 -0.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -93.09 -7.68 44.89 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.15 0.5 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.611 ' OE2' ' HD3' ' A' ' 84' ' ' PRO . 8.8 mm-40 73.75 150.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.562 178.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 16' ' ' ALA . . . -99.3 146.23 26.47 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.857 -176.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 55' ' ' PHE . 14.7 p -140.59 167.36 22.35 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 114.837 -1.074 . . . . 0.0 109.196 174.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.71 -170.01 36.53 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.417 -0.897 . . . . 0.0 111.991 178.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 HD11 ' HG2' ' A' ' 62' ' ' GLN . 96.8 mt -129.51 154.33 47.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.924 0.393 . . . . 0.0 110.431 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.8 mt -113.29 130.38 56.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.012 177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.563 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.65 153.56 16.92 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.552 -0.832 . . . . 0.0 112.639 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.82 -144.42 9.06 Favored Glycine 0 N--CA 1.443 -0.89 0 C-N-CA 121.054 -0.593 . . . . 0.0 111.725 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 57.1 mtm180 -120.46 146.55 46.13 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.684 0.278 . . . . 0.0 110.41 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HG2' HG21 ' A' ' 75' ' ' VAL . 32.6 ptt180 -131.07 139.07 49.84 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.944 0.402 . . . . 0.0 110.006 176.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -135.03 128.14 31.75 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.32 -87.61 0.6 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 109.891 -1.284 . . . . 0.0 109.891 -170.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -151.07 6.67 0.51 Allowed 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 120.994 0.426 . . . . 0.0 110.48 166.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -87.67 157.08 19.18 Favored 'General case' 0 CA--C 1.516 -0.331 0 N-CA-C 109.759 -0.46 . . . . 0.0 109.759 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.521 ' HB3' HD13 ' A' ' 77' ' ' LEU . 32.8 mtt-85 -128.5 137.52 51.82 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.819 -169.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.0 m-90 -119.97 112.93 19.79 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.997 173.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 81.9 t -83.41 107.35 14.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.796 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.39 -17.82 14.65 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.622 -177.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.2 ttt85 -151.51 133.02 14.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.972 0.415 . . . . 0.0 110.91 177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.7 t -104.98 137.0 36.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.662 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -119.65 86.44 35.0 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-O 121.15 0.5 . . . . 0.0 111.11 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -74.32 105.94 2.14 Favored 'Trans proline' 0 N--CA 1.454 -0.797 0 C-N-CA 122.742 2.295 . . . . 0.0 111.134 177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 92.2 mt -90.56 166.79 13.01 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.044 -176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -81.62 150.36 28.15 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.124 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -93.02 120.52 33.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.197 0.522 . . . . 0.0 110.324 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -75.45 -24.19 57.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.772 -179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -86.41 134.06 33.73 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.521 -0.472 . . . . 0.0 109.74 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -87.01 1.26 53.41 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.007 0.432 . . . . 0.0 110.477 179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.2 m -67.93 144.69 97.4 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.004 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -78.05 7.04 4.21 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.97 2.447 . . . . 0.0 112.312 178.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -130.05 -59.41 1.05 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.12 -173.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.621 ' HA ' ' OE1' ' A' ' 93' ' ' GLU . 16.0 m170 -71.01 146.77 49.18 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.431 -174.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.578 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 6.7 p90 -126.94 141.04 51.9 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.8 m -150.63 135.56 17.54 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.487 ' O ' ' HB2' ' A' ' 61' ' ' GLU . 1.5 pmm? -108.99 -3.95 17.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.192 -176.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 11.8 t70 68.79 141.14 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.738 0 O-C-N 123.875 0.735 . . . . 0.0 111.24 179.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.16 -23.54 39.34 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.571 2.181 . . . . 0.0 113.319 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 81.1 mtm180 -75.25 -41.0 58.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.751 0.31 . . . . 0.0 110.793 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 57' ' ' MET . 11.7 mm-40 -66.75 -37.71 85.18 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.468 ' HG2' HD11 ' A' ' 27' ' ' LEU . 55.5 mt-30 -60.27 -48.37 82.01 Favored 'General case' 0 C--O 1.226 -0.144 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.212 173.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 47.4 tp -56.91 -41.41 78.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.834 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.9 m -62.9 -45.29 93.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.575 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.91 -42.49 85.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.418 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 62' ' ' GLN . 94.3 t -64.23 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.027 179.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.435 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 4.9 ttmp? -59.33 -47.01 87.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.649 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -65.74 -43.96 87.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.271 178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.563 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 27.6 tpp -56.07 -48.87 75.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.894 -1.048 . . . . 0.0 110.603 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -69.24 -30.51 68.66 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.659 -177.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -68.37 -35.93 78.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.552 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -83.82 -12.05 56.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.406 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.96 16.39 38.78 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.417 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -104.15 166.38 10.44 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.021 0.438 . . . . 0.0 110.81 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.481 HG21 ' HG2' ' A' ' 32' ' ' ARG . 31.4 m -129.72 160.31 40.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.294 177.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 49.3 ttp -76.59 123.01 25.45 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.872 178.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD13 ' HB3' ' A' ' 37' ' ' ARG . 80.0 mt -96.72 -26.93 14.99 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.337 -176.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.477 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 164.55 -156.47 28.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.208 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.8 p30 -142.6 177.66 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.072 -0.344 . . . . 0.0 110.072 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.566 ' HA ' ' O ' ' A' ' 106' ' ' LEU . 51.1 p90 -143.15 144.6 32.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.217 0.532 . . . . 0.0 112.099 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 21.9 t-160 -131.21 145.2 51.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.164 -0.926 . . . . 0.0 108.585 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.2 p -112.41 159.14 19.01 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 120.439 0.161 . . . . 0.0 111.123 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 15.5 m170 -137.37 142.39 37.31 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.924 167.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.611 ' HD3' ' OE2' ' A' ' 23' ' ' GLU . 12.7 Cg_endo -91.85 -54.79 0.02 OUTLIER 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 123.126 2.55 . . . . 0.0 113.546 -177.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -107.93 12.61 26.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.844 0.354 . . . . 0.0 111.209 -176.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.57 154.18 80.61 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.87 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.92 176.21 9.33 Favored 'Trans proline' 0 C--O 1.237 0.472 0 C-N-CA 123.106 2.537 . . . . 0.0 112.659 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.81 89.81 6.85 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.406 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 38.5 ptt180 -139.92 148.33 54.66 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.973 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.72 106.57 0.93 Allowed 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 122.414 2.076 . . . . 0.0 110.759 173.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.3 m -88.16 -173.14 4.1 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.051 -176.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.9 -40.38 72.97 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-O 120.901 0.381 . . . . 0.0 111.238 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 54' ' ' HIS . 11.2 pt-20 -74.06 -45.98 46.02 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -58.66 -38.06 77.36 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.094 0.473 . . . . 0.0 110.557 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -62.32 -43.5 98.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.186 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 68.0 mtp180 -76.31 -33.19 59.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.884 -178.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.9 mt -82.3 15.8 2.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 111.544 -176.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.78 92.45 2.5 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.809 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.25 -29.12 11.47 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.762 -175.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -135.84 88.66 22.64 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.286 -174.28 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.59 -4.88 7.61 Favored 'Trans proline' 0 CA--C 1.53 0.309 0 C-N-CA 123.239 2.626 . . . . 0.0 112.986 -178.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.1 m -94.92 -0.53 53.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.066 0.46 . . . . 0.0 110.635 178.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.477 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 77.2 mt -106.0 149.45 26.64 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.226 177.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.0 m -87.63 117.69 26.62 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.214 176.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -88.1 105.76 17.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.91 176.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.566 ' O ' ' HA ' ' A' ' 80' ' ' PHE . 8.9 mp -92.41 133.77 35.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.088 0.47 . . . . 0.0 110.21 178.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.6 mt -120.01 128.52 75.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 68.0 mt -104.21 124.68 58.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.21 -177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 40.3 t -103.32 114.05 28.03 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.441 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.572 HD12 HD11 ' A' ' 20' ' ' LEU . 41.8 mt -100.24 11.96 38.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.169 0.509 . . . . 0.0 109.715 174.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.9 -25.25 67.81 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.14 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -117.69 87.35 26.24 Favored Pre-proline 0 N--CA 1.45 -0.444 0 CA-C-N 115.298 -0.865 . . . . 0.0 109.382 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -68.43 -17.4 43.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.891 2.394 . . . . 0.0 113.146 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -83.42 -20.97 33.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.117 0.484 . . . . 0.0 110.103 -179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.733 ' HE2' ' HA ' ' A' ' 115' ' ' LYS . 0.1 OUTLIER -144.26 85.05 9.02 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.326 -177.235 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -60.55 112.99 1.5 Allowed 'Trans proline' 0 N--CA 1.464 -0.231 0 C-N-CA 122.514 2.143 . . . . 0.0 111.834 -177.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.4 t -99.21 122.98 51.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.846 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 66.9 m -113.94 122.51 47.19 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 106' ' ' LEU . 28.8 mmmt -113.83 158.03 21.55 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.773 0.32 . . . . 0.0 110.524 -177.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.9 t -125.95 120.83 31.39 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.88 133.04 54.43 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-O 121.175 0.512 . . . . 0.0 110.905 -178.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 80.2 mt -95.07 107.12 19.17 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.9 mt -88.84 108.82 19.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-O 121.329 0.585 . . . . 0.0 110.511 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.0 mtmt -88.23 -168.97 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.183 -0.917 . . . . 0.0 109.942 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 42.6 tttp -56.78 -54.9 41.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.009 -0.542 . . . . 0.0 111.229 -178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -131.45 5.47 4.38 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.153 0.502 . . . . 0.0 111.396 -176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -135.36 164.14 24.86 Favored Glycine 0 CA--C 1.508 -0.356 0 C-N-CA 120.522 -0.847 . . . . 0.0 112.291 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 73.6 t -126.87 127.32 69.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.788 0.328 . . . . 0.0 110.555 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -105.44 144.39 32.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -94.29 124.93 38.62 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -97.94 146.88 25.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.599 176.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -91.01 150.92 21.25 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.094 0.473 . . . . 0.0 110.857 -177.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.0 mm -107.4 122.29 61.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.263 -173.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.567 HD13 ' HG3' ' A' ' 1' ' ' MET . 2.1 mp -113.48 125.01 70.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.138 -0.689 . . . . 0.0 109.138 173.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.447 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 93.7 mt -112.3 154.31 25.86 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.3 0.571 . . . . 0.0 112.144 -174.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.57 ' HB2' HG22 ' A' ' 5' ' ' THR . 66.6 mttm -128.91 143.65 50.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.78 173.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.52 -26.3 38.18 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.689 0.757 . . . . 0.0 110.697 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -125.09 160.4 29.15 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.934 -178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.733 HD23 HG21 ' A' ' 5' ' ' THR . 96.1 mt -78.45 -179.69 6.5 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.966 0.412 . . . . 0.0 110.734 178.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.39 164.45 14.87 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 69.78 104.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.706 0.629 . . . . 0.0 109.719 -176.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -80.51 21.41 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.898 0.38 . . . . 0.0 111.906 -173.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.52 89.38 3.12 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.035 0.445 . . . . 0.0 110.001 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -119.81 29.92 7.31 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.389 177.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 82.1 t60 74.54 19.56 2.64 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 123.945 0.778 . . . . 0.0 110.234 178.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.28 -0.867 . . . . 0.0 109.538 175.41 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.633 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.501 HG23 ' HA ' ' A' ' 133' ' ' ILE . 12.2 tt -99.9 131.78 46.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.129 0.49 . . . . 0.0 110.146 176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.68 HG21 ' HE3' ' A' ' 136' ' ' LYS . 14.7 m -123.1 127.21 48.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.181 -177.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.6 pp -148.09 165.08 31.91 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.807 175.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.596 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 33.3 p -98.02 170.32 9.01 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.84 -173.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -55.09 -42.0 72.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.559 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -59.58 -45.81 90.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.888 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.596 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.5 mm100 -62.36 -42.02 99.07 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.0 tpp -62.4 -45.32 93.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.008 176.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -59.38 -43.53 92.88 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 177.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -59.68 -43.29 94.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.33 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.8 mtm -70.48 -47.53 60.14 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.755 0.312 . . . . 0.0 110.82 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 32.1 mt -58.33 -43.88 88.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.967 -178.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.17 -45.49 93.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.614 0.245 . . . . 0.0 110.696 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 17.3 t60 -65.41 -36.91 85.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.072 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.577 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.27 -52.23 65.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 177.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.645 ' HA ' ' HE ' ' A' ' 17' ' ' ARG . 3.0 mmp_? -61.27 -34.8 75.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.376 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -72.66 -26.33 61.6 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.655 0.613 . . . . 0.0 112.655 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.625 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -99.77 -27.34 13.69 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.928 0.394 . . . . 0.0 111.962 -176.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.562 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 57.5 mt -68.3 158.82 83.4 Favored Pre-proline 0 C--N 1.324 -0.505 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 176.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.526 ' HA ' ' HB3' ' A' ' 20' ' ' LEU . 94.4 Cg_endo -87.54 36.61 3.98 Favored 'Cis proline' 0 CA--C 1.531 0.366 0 C-N-CA 124.098 -1.209 . . . . 0.0 113.979 5.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.577 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 36.3 m-80 -91.58 -86.26 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.483 -0.487 . . . . 0.0 109.775 172.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -172.61 149.4 2.07 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.641 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -129.16 105.6 8.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 120.872 0.368 . . . . 0.0 110.248 -177.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -115.37 166.83 11.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.7 -176.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.516 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 173.97 -166.59 38.78 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 65' ' ' ALA . 95.0 mt -123.72 153.08 41.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 117.473 0.637 . . . . 0.0 110.727 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.622 ' HB2' HH22 ' A' ' 37' ' ' ARG . 94.5 mt -126.78 126.82 44.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.107 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.756 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -129.27 173.27 19.57 Favored Glycine 0 N--CA 1.44 -1.076 0 C-N-CA 120.429 -0.891 . . . . 0.0 112.524 -177.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 150.48 -131.46 3.58 Favored Glycine 0 N--CA 1.439 -1.108 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt85 -125.97 141.24 52.05 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.276 0.56 . . . . 0.0 110.837 -179.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' H ' ' A' ' 34' ' ' GLY . 76.1 ttt180 -131.61 122.35 25.89 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 10.3 t70 -81.68 -5.4 58.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.878 0.847 . . . . 0.0 110.069 -174.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.456 ' H ' ' HG2' ' A' ' 32' ' ' ARG . . . 129.41 -69.68 0.53 Allowed Glycine 0 N--CA 1.44 -1.044 0 CA-C-N 114.504 -1.225 . . . . 0.0 110.395 -176.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -94.02 -34.95 12.83 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 115.054 -0.573 . . . . 0.0 109.538 175.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' O ' ' HG3' ' A' ' 32' ' ' ARG . 23.7 m-20 -84.46 142.92 29.74 Favored 'General case' 0 CA--C 1.515 -0.39 0 CA-C-O 121.398 0.618 . . . . 0.0 110.36 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.622 HH22 ' HB2' ' A' ' 28' ' ' LEU . 3.1 tmt_? -129.14 116.87 19.89 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.076 -173.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 15.4 m-90 -110.42 147.85 33.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.918 0.39 . . . . 0.0 111.244 178.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.4 t -114.29 92.68 2.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.665 175.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -88.05 -30.14 20.15 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.484 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 41' ' ' ARG . 24.1 tpt85 -144.2 134.37 24.25 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.892 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.1 t -104.26 126.37 58.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.19 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -123.56 86.7 52.47 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 121.132 0.491 . . . . 0.0 110.508 175.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.516 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 5.3 Cg_exo -72.86 139.77 30.89 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.905 2.403 . . . . 0.0 111.57 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 93.1 mt -113.78 -169.75 1.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.904 0.383 . . . . 0.0 110.569 -176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -102.97 150.41 23.57 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.014 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -103.01 120.05 39.95 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 177.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.441 ' HB2' ' HB2' ' A' ' 56' ' ' SER . 4.0 mm? -64.48 -35.29 80.46 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.387 -173.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -111.66 114.23 27.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.74 0.305 . . . . 0.0 110.957 -177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -76.57 79.09 3.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.99 0.424 . . . . 0.0 110.54 -179.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 16.3 m -135.53 144.68 50.3 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.973 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.577 ' HA ' ' O ' ' A' ' 22' ' ' ASN . 15.3 Cg_exo -69.53 -31.44 21.53 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.962 2.441 . . . . 0.0 113.158 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 54' ' ' HIS . 15.6 mp0 -104.77 -16.84 14.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.681 -177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.462 ' CD2' ' HB2' ' A' ' 53' ' ' GLU . 18.5 m-70 -121.73 136.73 54.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.773 0.32 . . . . 0.0 110.807 -171.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 46.5 p90 -139.64 151.14 45.73 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.217 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . 17.9 m -142.01 137.81 31.39 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.161 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.9 ttm -122.2 131.14 53.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.268 -0.423 . . . . 0.0 109.946 178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -88.78 152.47 48.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 120.763 0.316 . . . . 0.0 110.41 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -67.07 -22.41 47.63 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.643 2.229 . . . . 0.0 113.109 -178.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 60' ' ' ARG . 19.8 mtp180 -75.42 -46.6 31.76 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.231 -176.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -65.25 -38.79 91.43 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.075 0.465 . . . . 0.0 110.049 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' HG23 ' A' ' 66' ' ' VAL . 57.0 tt0 -60.72 -49.9 75.63 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.834 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 46.7 tp -67.55 -34.46 77.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.089 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 64.4 m -62.17 -39.49 92.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.728 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.613 ' HB3' HD12 ' A' ' 27' ' ' LEU . . . -72.64 -40.5 66.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.062 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 62' ' ' GLN . 93.6 t -65.86 -36.19 76.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.973 179.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 41.5 ttmt -59.83 -47.06 87.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.44 -36.04 78.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.483 0.659 . . . . 0.0 109.914 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.756 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.3 tpp -58.04 -48.72 79.24 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.521 178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 37.3 ttp180 -70.83 -27.17 63.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.5 -177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -66.11 -29.07 69.31 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.382 0.61 . . . . 0.0 110.685 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -89.58 -9.44 49.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.74 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 90.95 18.63 46.37 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.856 -0.688 . . . . 0.0 112.286 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -103.95 168.67 8.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.994 0.426 . . . . 0.0 110.503 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.414 HG23 HD21 ' A' ' 77' ' ' LEU . 15.8 m -126.4 159.82 34.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.998 176.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -82.45 125.3 30.92 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.44 HD22 ' HB2' ' A' ' 32' ' ' ARG . 54.4 mt -109.98 -5.95 15.31 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.424 -172.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.93 -173.25 32.59 Favored Glycine 0 N--CA 1.444 -0.823 0 C-N-CA 121.074 -0.584 . . . . 0.0 111.69 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -131.24 171.31 13.46 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 120.956 0.408 . . . . 0.0 110.285 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 36.4 p90 -133.32 151.78 51.89 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.065 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.641 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 29.9 p-80 -157.63 136.87 11.81 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.466 175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.8 p -114.17 137.2 52.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.815 0.34 . . . . 0.0 111.292 -172.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -96.96 144.6 28.14 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.011 -0.541 . . . . 0.0 109.955 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.41 ' HA ' HD13 ' A' ' 20' ' ' LEU . 17.4 Cg_exo -67.29 -55.9 0.27 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.146 2.564 . . . . 0.0 113.671 -172.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.73 58.86 1.06 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.108 0.48 . . . . 0.0 110.719 -175.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.421 ' HB ' ' HD2' ' A' ' 87' ' ' PRO . 1.2 p -148.89 161.79 31.52 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.01 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 86' ' ' THR . 18.9 Cg_endo -59.16 152.28 60.72 Favored 'Trans proline' 0 C--N 1.349 0.58 0 C-N-CA 122.828 2.352 . . . . 0.0 112.638 -178.134 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -85.26 63.77 8.28 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.913 -178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.438 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 93.8 mtt180 -141.03 144.51 35.37 Favored Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.645 176.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 19.9 Cg_exo -65.7 119.1 6.07 Favored 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.953 2.436 . . . . 0.0 112.5 -177.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.0 m -70.52 178.5 2.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.559 175.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.27 -48.42 79.97 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.648 -175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 10.9 pt-20 -74.11 -34.09 63.8 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.149 -0.221 . . . . 0.0 110.857 178.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -58.62 -44.19 89.9 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.403 0.62 . . . . 0.0 109.458 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -71.57 -36.32 70.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.908 177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 93' ' ' GLU . 27.6 ttt85 -65.74 -23.22 66.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.283 -174.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 91.1 mt -82.28 11.2 5.66 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.86 0.362 . . . . 0.0 111.582 -177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -98.61 101.07 12.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.041 0.448 . . . . 0.0 110.457 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -115.59 14.83 16.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.504 0.669 . . . . 0.0 109.918 177.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -84.81 166.71 30.53 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.197 -0.911 . . . . 0.0 110.39 -179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -67.75 -56.67 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.045 1.83 . . . . 0.0 113.226 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 41.6 m -170.68 54.13 0.03 OUTLIER 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.133 0.492 . . . . 0.0 110.253 -175.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.9 mt -81.58 170.69 15.55 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.665 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.527 ' HB2' ' HE ' ' A' ' 37' ' ' ARG . 16.1 m -107.44 110.58 22.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.788 -178.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -93.37 135.72 34.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.251 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.501 HD13 HD12 ' A' ' 28' ' ' LEU . 8.4 mp -109.54 129.91 55.54 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.845 0.355 . . . . 0.0 110.46 176.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.1 mt -125.5 118.57 52.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.884 178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.9 mt -118.31 130.92 72.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.028 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 75.6 m -104.08 115.76 31.0 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.284 0.564 . . . . 0.0 111.014 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.576 HD13 ' HB3' ' A' ' 116' ' ' PRO . 4.5 mm? -92.45 49.59 1.51 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.981 177.125 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.01 -47.68 77.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.768 178.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.727 ' HG2' ' HD2' ' A' ' 113' ' ' PRO . 12.5 tt0 -142.21 142.32 23.91 Favored Pre-proline 0 N--CA 1.449 -0.505 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 167.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.727 ' HD2' ' HG2' ' A' ' 112' ' ' GLU . 63.5 Cg_endo -74.18 -4.82 16.03 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.419 2.079 . . . . 0.0 114.076 -173.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.467 ' HG3' ' N ' ' A' ' 115' ' ' LYS . 23.8 pt20 -65.29 -43.39 91.3 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 176.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 114' ' ' GLN . 71.0 mmtt -151.68 85.66 4.79 Favored Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.118 -176.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.576 ' HB3' HD13 ' A' ' 110' ' ' LEU . 37.7 Cg_endo -68.29 132.41 25.77 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.272 1.981 . . . . 0.0 111.559 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 44.0 t -77.92 121.33 30.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.515 ' HB2' HD12 ' A' ' 133' ' ' ILE . 3.9 p -116.58 118.82 33.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.289 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -132.03 160.62 35.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.061 0.458 . . . . 0.0 110.337 176.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 9.4 t -125.46 144.36 50.57 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 174.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -135.06 134.93 40.86 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.38 0.61 . . . . 0.0 112.121 -175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 92.3 mt -97.78 108.26 20.93 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 168.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 60.3 mt -88.01 117.92 32.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.069 0.461 . . . . 0.0 111.32 -172.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -118.05 172.71 7.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.324 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.48 ' HE2' ' HB3' ' A' ' 125' ' ' LYS . 28.9 ttpt -64.6 -56.27 15.0 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.77 173.115 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -49.6 -46.48 49.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.092 -1.413 . . . . 0.0 111.404 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.48 -165.04 32.95 Favored Glycine 0 N--CA 1.441 -0.991 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.462 -178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.8 p -119.91 134.68 62.65 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 CA-C-O 120.933 0.397 . . . . 0.0 110.421 179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -108.31 132.86 53.27 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -96.32 129.06 43.75 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 121.453 0.644 . . . . 0.0 111.794 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.633 ' CD ' ' HA ' ' A' ' 1' ' ' MET . 8.2 tp10 -107.84 142.38 37.98 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.498 176.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -90.15 147.87 23.33 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.746 -179.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.515 HD12 ' HB2' ' A' ' 118' ' ' CYS . 63.1 mt -98.57 123.98 51.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.629 -177.305 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 1.9 mp -99.61 121.31 50.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.373 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 95.4 mt -97.09 124.03 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.921 -175.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.68 ' HE3' HG21 ' A' ' 3' ' ' THR . 83.1 mttt -102.32 156.83 17.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.375 175.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -82.89 -28.61 29.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.969 0.89 . . . . 0.0 109.33 -178.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -131.83 157.67 43.3 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.3 -1.318 . . . . 0.0 110.14 -175.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.544 HD23 HG21 ' A' ' 5' ' ' THR . 95.8 mt -67.12 164.88 17.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.946 -178.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.513 ' O ' ' HB3' ' A' ' 141' ' ' HIS . 6.7 tp10 -73.14 148.75 43.59 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.513 ' HB3' ' O ' ' A' ' 140' ' ' GLU . 55.9 t-80 75.04 170.78 0.28 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 123.916 0.76 . . . . 0.0 109.012 -169.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 141' ' ' HIS . 51.9 t-80 75.99 -58.37 0.54 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.25 0.62 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -64.87 137.56 57.83 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.918 0.39 . . . . 0.0 110.735 -178.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -138.48 174.09 10.9 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.724 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 8.7 p-80 -125.24 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.914 0.387 . . . . 0.0 111.188 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 55.9 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.288 -0.863 . . . . 0.0 109.378 -178.258 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.94 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.492 HG13 ' HD2' ' A' ' 37' ' ' ARG . 11.9 tt -119.33 125.13 74.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.041 0.448 . . . . 0.0 109.966 174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.0 m -118.2 126.69 52.71 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.145 -178.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.532 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -144.38 164.08 31.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.695 176.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.682 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 27.1 p -96.06 168.84 10.37 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.75 -175.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.0 tmtt? -57.87 -36.98 73.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.582 173.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -65.73 -41.06 92.66 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.488 179.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.682 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.86 -40.65 95.49 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.825 0.345 . . . . 0.0 110.198 177.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.5 ttm -61.6 -43.43 98.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.874 176.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -65.43 -34.67 78.84 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.779 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -60.42 -40.61 91.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.043 0.449 . . . . 0.0 110.667 174.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.1 mtm -70.15 -49.88 46.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.408 176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 17' ' ' ARG . 53.9 mt -63.27 -40.82 98.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.031 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.11 88.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.692 0.282 . . . . 0.0 110.552 178.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.621 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 73.6 t60 -60.48 -42.13 95.63 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.383 176.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.445 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.34 -45.79 89.6 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 177.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 61.1 mtt180 -61.96 -40.68 96.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.018 0.437 . . . . 0.0 110.938 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -72.44 -38.61 68.26 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.479 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -88.95 8.99 26.67 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.099 -174.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 71.0 mt -57.62 144.07 73.83 Favored Pre-proline 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 175.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -97.84 34.6 8.54 Favored 'Cis proline' 0 N--CA 1.456 -0.677 0 C-N-CA 124.035 -1.235 . . . . 0.0 113.606 2.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -82.77 -173.76 4.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.757 0.313 . . . . 0.0 110.5 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 52' ' ' PRO . 0.0 OUTLIER -87.61 -24.87 23.83 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.517 -178.53 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.428 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . 65.32 101.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.839 174.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 73.2 m -115.77 166.95 11.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.219 0.533 . . . . 0.0 111.307 175.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -173.46 -160.77 22.52 Favored Glycine 0 N--CA 1.451 -0.365 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 72.7 mt -123.89 153.7 40.76 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 117.75 0.775 . . . . 0.0 110.848 178.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.5 mt -119.22 131.0 55.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.926 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.68 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.78 162.12 16.71 Favored Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 120.345 -0.931 . . . . 0.0 112.714 -176.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 159.5 -151.15 21.9 Favored Glycine 0 N--CA 1.441 -1.007 0 N-CA-C 111.354 -0.698 . . . . 0.0 111.354 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.2 mtm180 -135.62 148.14 48.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.164 0.507 . . . . 0.0 111.466 -177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 36' ' ' ASP . 0.0 OUTLIER -119.48 123.15 43.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.394 174.065 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -126.12 35.05 4.74 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 119.681 -0.808 . . . . 0.0 111.928 -171.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 118.08 61.3 0.29 Allowed Glycine 0 CA--C 1.503 -0.697 0 C-N-CA 120.416 -0.897 . . . . 0.0 111.994 178.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.3 t70 75.62 -19.27 0.41 Allowed 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 124.217 1.007 . . . . 0.0 110.868 -176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 4.8 m-20 -74.42 133.59 42.43 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.802 0.811 . . . . 0.0 108.924 170.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.582 ' NH1' HG22 ' A' ' 39' ' ' VAL . 2.1 tmt_? -131.4 113.01 13.22 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 113.971 -1.468 . . . . 0.0 109.407 -175.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 13.9 m-90 -107.93 147.26 31.27 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.019 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG22 ' NH1' ' A' ' 37' ' ' ARG . 19.2 t -106.03 88.01 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 174.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -82.52 -21.58 35.37 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.133 -175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -151.25 148.33 28.07 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 121.373 0.606 . . . . 0.0 111.522 177.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 57.7 t -118.34 129.94 73.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.872 -1.058 . . . . 0.0 108.229 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -120.4 88.16 41.89 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-O 121.46 0.648 . . . . 0.0 111.709 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.621 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 19.5 Cg_exo -66.27 99.15 0.41 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.249 2.632 . . . . 0.0 111.561 176.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 ' HB3' ' HB3' ' A' ' 61' ' ' GLU . 90.2 mt -90.29 174.44 7.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.967 -177.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -82.6 141.21 32.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.952 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -120.28 126.81 51.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.384 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.12 -31.26 61.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.577 -171.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.72 42.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.859 -178.508 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -99.81 41.99 1.13 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.622 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 18.8 m -115.62 145.14 33.89 Favored Pre-proline 0 N--CA 1.447 -0.577 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.558 -174.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 23' ' ' GLU . 59.7 Cg_endo -73.97 -31.98 7.53 Favored 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.441 2.094 . . . . 0.0 113.108 179.511 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -114.48 -1.25 13.49 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.345 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.622 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 42.5 m170 -118.04 143.81 46.11 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -178.064 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 p90 -133.62 149.39 51.6 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.828 0.347 . . . . 0.0 110.766 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.2 m -155.45 118.25 4.28 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.464 ' HG3' HE21 ' A' ' 62' ' ' GLN . 18.5 ptm -114.83 145.6 41.96 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.884 -173.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.524 ' OD2' ' HB2' ' A' ' 60' ' ' ARG . 26.2 t70 -86.86 142.34 34.21 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -175.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.516 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 39.0 Cg_endo -68.31 -26.31 35.56 Favored 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 123.146 2.564 . . . . 0.0 113.275 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HB2' ' OD2' ' A' ' 58' ' ' ASP . 18.5 mmt180 -75.03 -32.55 61.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.823 0.344 . . . . 0.0 110.125 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.426 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 51.1 mm-40 -62.86 -45.78 90.96 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.464 HE21 ' HG3' ' A' ' 57' ' ' MET . 80.2 mt-30 -57.99 -49.48 76.69 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.696 176.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.66 -40.31 75.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.056 -177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 36.4 m -62.33 -45.73 91.9 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.623 179.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.7 -45.13 72.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.235 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -63.61 -38.75 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.953 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.5 ttmm -60.39 -47.52 85.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.598 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -67.83 -38.64 83.46 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.492 0.663 . . . . 0.0 109.977 -179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.68 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 29.5 tpp -61.07 -51.09 70.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.207 -178.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.4 -24.48 57.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.103 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -62.69 -39.74 94.94 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.007 178.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -88.33 -20.33 25.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.97 -178.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.87 8.82 23.68 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.408 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.401 ' HB2' ' HG3' ' A' ' 69' ' ' MET . 10.6 m0 -83.9 165.49 18.67 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 177.053 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.0 m -128.28 152.25 36.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 175.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.2 ttp -71.65 106.15 3.96 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD21 ' HG3' ' A' ' 32' ' ' ARG . 93.2 mt -95.81 -0.37 51.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.762 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 142.67 -157.77 26.82 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.323 177.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.42 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 29.9 p-10 -146.51 178.91 7.91 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.767 0.318 . . . . 0.0 110.434 -177.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 47.5 p90 -131.05 142.01 50.25 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.102 178.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.436 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 81.2 t60 -142.57 128.1 19.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.344 -178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.417 ' HB3' ' O ' ' A' ' 23' ' ' GLU . 39.0 t -114.0 156.66 23.66 Favored 'General case' 0 C--N 1.309 -1.18 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.262 -174.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.592 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 29.1 m170 -112.7 140.9 24.48 Favored Pre-proline 0 C--N 1.319 -0.725 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 170.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 2.0 Cg_endo -87.5 -56.41 0.02 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.5 0 C-N-CA 122.875 2.383 . . . . 0.0 112.989 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -112.48 22.64 14.43 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.454 0.645 . . . . 0.0 109.987 -178.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.592 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.7 OUTLIER -135.16 156.55 78.1 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.465 -0.788 . . . . 0.0 110.079 -178.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -76.47 -175.41 2.56 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.735 2.29 . . . . 0.0 113.47 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.46 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -77.44 -178.86 5.43 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.88 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 71.44 142.21 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.379 0 O-C-N 124.015 0.822 . . . . 0.0 110.088 -174.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.81 139.76 34.12 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.157 1.905 . . . . 0.0 112.201 175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.485 ' N ' ' HB2' ' A' ' 94' ' ' ASP . 79.3 p -79.56 -172.78 3.43 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 174.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -57.25 -46.24 83.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.976 0.417 . . . . 0.0 110.738 179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.598 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 38.8 mt-10 -73.15 -39.52 65.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.453 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.516 ' HA ' HD12 ' A' ' 97' ' ' LEU . 30.4 m-20 -58.66 -38.02 77.26 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.869 0.366 . . . . 0.0 110.347 178.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -70.43 -30.71 67.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.799 -178.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -75.15 -18.18 60.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.907 0.384 . . . . 0.0 110.828 177.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.598 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 83.1 mt -81.87 -9.0 59.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -89.07 93.19 9.5 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.892 177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.71 -25.21 28.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.997 -174.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.491 ' OD2' ' HG ' ' A' ' 103' ' ' LEU . 17.5 t70 -120.9 89.72 45.99 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.832 0.349 . . . . 0.0 111.333 -176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' ' HA ' ' A' ' 100' ' ' ASP . 29.0 Cg_endo -61.45 -4.09 3.95 Favored 'Trans proline' 0 N--CA 1.479 0.666 0 C-N-CA 123.892 3.061 . . . . 0.0 114.302 -175.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.21 -3.91 56.54 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.869 0.366 . . . . 0.0 111.422 -177.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.491 ' HG ' ' OD2' ' A' ' 100' ' ' ASP . 81.9 mt -97.14 166.23 11.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.111 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.5 ' HB2' HH21 ' A' ' 37' ' ' ARG . 5.2 m -94.67 115.68 27.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.837 175.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -102.37 101.93 12.22 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 10.2 mp -87.29 125.8 34.44 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.166 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.436 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 50.3 mm -112.16 122.58 66.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.953 -178.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 56.3 mt -104.94 138.56 29.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.278 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.46 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 27.8 t -107.74 104.39 13.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.024 177.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -89.88 5.74 44.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.073 0.463 . . . . 0.0 110.178 179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.54 -24.74 63.94 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.663 176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -123.49 86.25 52.36 Favored Pre-proline 0 N--CA 1.451 -0.385 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.348 176.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.2 -6.29 17.96 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 123.011 2.474 . . . . 0.0 113.438 -176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -73.84 -40.37 63.35 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 174.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -151.4 81.87 5.91 Favored Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.539 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -64.1 113.53 2.25 Favored 'Trans proline' 0 C--O 1.233 0.271 0 C-N-CA 122.809 2.339 . . . . 0.0 112.104 -176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.1 t -71.26 120.83 20.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.22 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 32.4 m -117.03 119.09 34.2 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.894 -0.593 . . . . 0.0 109.97 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -128.77 160.2 33.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.961 0.41 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 23.1 t -106.06 122.9 47.11 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.439 -0.801 . . . . 0.0 109.118 179.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -119.58 130.97 55.39 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.268 0.556 . . . . 0.0 110.878 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 86.2 mt -93.57 107.12 19.03 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 171.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 41.4 mm -86.92 108.05 17.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 -176.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.31 177.29 4.9 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 121.624 0.726 . . . . 0.0 111.334 -175.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.3 tttp -62.25 -53.54 53.65 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 114.448 -1.251 . . . . 0.0 109.154 173.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.15 -76.33 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.436 -1.256 . . . . 0.0 110.796 178.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -147.68 -143.68 3.87 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.258 -177.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 54.6 t -124.86 124.44 67.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 120.81 0.338 . . . . 0.0 111.162 -177.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -109.76 131.69 54.83 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.72 141.39 28.55 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 121.227 0.537 . . . . 0.0 111.112 -178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.445 ' HG3' HG22 ' A' ' 2' ' ' ILE . 6.5 tp10 -102.89 135.89 43.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.566 179.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.12 139.01 44.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.063 0.459 . . . . 0.0 111.043 -177.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 49.5 mt -108.2 127.12 64.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.399 -174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.42 HD12 ' N ' ' A' ' 134' ' ' ILE . 3.1 mp -108.6 131.53 58.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 62.9 mt -105.03 163.22 12.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.967 0.413 . . . . 0.0 111.565 -176.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 24.7 ttpt -167.83 163.19 14.01 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -81.96 -25.35 34.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.81 0.338 . . . . 0.0 111.572 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.412 ' O ' ' HE3' ' A' ' 136' ' ' LYS . 10.1 mm-40 -150.77 -173.52 4.5 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.431 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 94.3 mt -86.44 -161.55 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -80.37 164.3 23.22 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 174.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 66.43 91.15 0.09 Allowed 'General case' 0 CA--C 1.519 -0.216 0 O-C-N 123.773 0.671 . . . . 0.0 109.91 -170.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -60.82 103.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 173.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -124.7 172.3 9.4 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.297 -170.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -64.54 128.9 37.77 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 172.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -82.3 129.97 34.99 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.11 -173.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 25.0 p80 . . . . . 0 C--O 1.246 0.887 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 171.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.085 0 CA-C-O 120.888 0.375 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 37' ' ' ARG . 10.9 tt -111.32 129.33 66.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 35.4 m -114.2 119.7 37.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.263 0.554 . . . . 0.0 111.511 -176.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -135.67 158.31 44.7 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.09 173.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.547 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 16.8 p -89.17 166.33 13.9 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.045 -171.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -54.88 -40.66 69.98 Favored 'General case' 0 C--N 1.332 -0.157 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 172.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -57.74 -48.17 80.37 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.395 176.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.547 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 7.1 mm100 -60.38 -40.2 89.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.746 0.308 . . . . 0.0 110.68 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 54.1 tpp -61.91 -46.43 89.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 109.857 175.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -61.53 -40.21 93.83 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.494 178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -66.35 -40.5 89.87 Favored 'General case' 0 N--CA 1.43 -1.453 0 C-N-CA 123.074 0.55 . . . . 0.0 110.432 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.502 ' HG2' HG11 ' A' ' 42' ' ' VAL . 63.7 mtm -70.33 -46.84 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.517 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 13' ' ' LEU . 22.9 mt -60.21 -45.61 92.6 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.066 -177.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.68 -45.73 92.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.723 0.297 . . . . 0.0 110.473 179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -63.37 -36.22 83.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.197 178.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.616 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -59.43 -51.89 67.97 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.908 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 68.4 mtp180 -66.1 -37.3 85.41 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 121.077 -0.249 . . . . 0.0 110.674 -179.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -66.33 -25.74 66.97 Favored 'General case' 0 N--CA 1.444 -0.736 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.517 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.95 -15.51 23.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.583 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.616 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 56.0 mt -58.97 147.91 72.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -92.23 36.12 6.65 Favored 'Cis proline' 0 N--CA 1.46 -0.49 0 C-N-CA 123.622 -1.408 . . . . 0.0 113.94 5.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -95.49 151.58 19.18 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.103 -0.332 . . . . 0.0 110.103 178.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' OE1' ' HB2' ' A' ' 50' ' ' GLN . 20.1 mp0 -59.68 118.66 6.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.977 0.418 . . . . 0.0 110.678 174.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.459 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -70.83 126.84 30.71 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.162 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.7 m -116.91 167.11 11.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.368 -179.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.485 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . 161.07 178.5 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.571 176.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -124.16 161.02 26.56 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 106' ' ' LEU . 94.5 mt -113.14 131.64 55.77 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.06 -178.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.89 143.63 15.01 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 121.07 -0.586 . . . . 0.0 112.043 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 166.15 -151.63 20.16 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.791 -0.719 . . . . 0.0 111.685 178.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 31' ' ' ARG . 13.8 mtp180 -110.78 145.38 38.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.993 0.425 . . . . 0.0 110.575 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -131.33 156.9 44.7 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.104 177.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -121.75 -152.69 0.52 Allowed 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 176.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -52.45 -50.38 48.04 Favored Glycine 0 C--N 1.329 0.176 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.331 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -136.15 -14.37 1.79 Allowed 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.897 0.379 . . . . 0.0 111.073 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -74.3 139.27 44.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.919 0.39 . . . . 0.0 110.056 -178.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 2' ' ' ILE . 0.0 OUTLIER -130.72 124.18 30.92 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.713 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 11.9 m-90 -118.34 117.64 29.63 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.433 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 38.4 t -88.13 103.29 13.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.447 -179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -90.03 -27.28 19.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.293 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.537 ' HA ' HE22 ' A' ' 8' ' ' GLN . 6.6 tpt180 -151.04 132.98 15.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.916 0.389 . . . . 0.0 110.91 177.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.502 HG11 ' HG2' ' A' ' 12' ' ' MET . 53.2 t -96.65 133.91 36.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.41 ' O ' HD22 ' A' ' 45' ' ' LEU . 27.3 m-85 -117.73 86.11 23.42 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-O 121.08 0.467 . . . . 0.0 110.787 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.485 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 2.7 Cg_endo -80.76 93.93 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.846 2.364 . . . . 0.0 111.655 177.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 65' ' ' ALA . 2.9 mm? -66.41 168.43 8.97 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.537 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -63.47 144.37 57.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.771 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.749 HD21 ' HA ' ' A' ' 50' ' ' GLN . 18.6 t-20 -79.99 105.76 11.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.341 -179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.718 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.1 mm? -72.71 -49.97 27.81 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 175.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -135.24 130.26 34.92 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.749 ' HA ' HD21 ' A' ' 47' ' ' ASN . 27.6 pt20 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 174.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 16.1 m 60.4 142.54 0.05 OUTLIER Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.33 -176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -54.68 -36.5 90.09 Favored 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 122.825 2.35 . . . . 0.0 113.474 -172.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -143.52 0.46 1.13 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.544 -177.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.439 ' CE1' ' HB2' ' A' ' 93' ' ' GLU . 19.9 m170 -117.9 -163.24 0.92 Allowed 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.895 -164.423 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.546 ' HB3' ' HB3' ' A' ' 81' ' ' HIS . 28.8 p90 -142.65 155.69 44.96 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.579 179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.9 m -150.96 126.91 10.39 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.256 0.551 . . . . 0.0 110.773 175.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.718 ' HA ' HD23 ' A' ' 48' ' ' LEU . 3.9 mpp? -127.22 160.02 32.55 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.093 -0.958 . . . . 0.0 108.477 173.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -88.37 144.01 33.31 Favored Pre-proline 0 C--N 1.318 -0.764 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -47.11 -38.62 25.09 Favored 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 123.36 2.707 . . . . 0.0 112.572 175.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -65.13 -43.18 92.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.962 0.41 . . . . 0.0 110.737 179.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -63.08 -42.63 99.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.724 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.0 mt-30 -69.19 -43.56 73.92 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.614 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.8 -38.53 85.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.78 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 40.6 m -67.37 -38.57 84.97 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.769 178.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' HB2' HD11 ' A' ' 45' ' ' LEU . . . -66.05 -45.4 81.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.906 179.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.4 t -64.14 -34.42 68.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.498 178.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.4 ttmm -58.6 -47.49 84.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.772 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -71.83 -37.62 70.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.631 0.729 . . . . 0.0 110.028 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 33.6 ttm -62.63 -48.37 79.66 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.925 -1.034 . . . . 0.0 110.931 -179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 40.8 ttt-85 -68.47 -27.18 65.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.79 -178.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -61.07 -39.68 90.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.178 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -88.08 -19.48 27.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.996 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.16 21.78 9.22 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.485 179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -95.25 160.32 14.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.868 0.366 . . . . 0.0 110.078 176.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.7 m -125.32 163.31 26.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.203 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.1 ttp -75.07 117.31 16.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.639 -178.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 69.8 mt -86.9 -27.39 23.42 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.059 178.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.7 -143.86 10.3 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 115.441 -0.8 . . . . 0.0 111.585 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -147.03 177.37 9.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.819 0.342 . . . . 0.0 110.207 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.414 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 44.4 p90 -142.41 147.11 35.66 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.297 175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.546 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 24.8 p-80 -146.33 122.74 10.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.1 177.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 13.3 m -113.05 154.66 26.18 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.385 -167.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.567 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.0 m170 -115.34 142.79 29.25 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.186 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 110' ' ' LEU . 2.5 Cg_endo -82.97 -50.06 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.373 0 C-N-CA 123.003 2.469 . . . . 0.0 113.108 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.65 28.83 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.114 0.483 . . . . 0.0 111.316 -175.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.567 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.6 OUTLIER -141.4 155.4 67.51 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.094 -177.348 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.61 171.57 6.77 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.161 2.574 . . . . 0.0 113.185 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.496 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -100.46 77.06 1.89 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.703 -0.681 . . . . 0.0 111.742 -179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -155.63 147.32 17.04 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.776 171.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -75.42 151.13 37.31 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.535 2.157 . . . . 0.0 113.103 -176.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.4 p -97.53 -174.26 2.87 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.287 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.648 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -60.44 -48.16 82.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.549 0.214 . . . . 0.0 111.324 -177.64 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' HB2' ' CE1' ' A' ' 54' ' ' HIS . 2.5 mp0 -67.51 -36.91 81.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.473 -0.331 . . . . 0.0 110.863 -178.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.5 -34.58 74.5 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.411 0.624 . . . . 0.0 109.71 -178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.643 ' HG2' HG23 ' A' ' 123' ' ' ILE . 0.7 OUTLIER -70.12 -32.87 71.1 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.236 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.648 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 17.9 mtp180 -75.42 -18.5 59.89 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 95.9 mt -79.77 -6.42 57.24 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -176.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -87.61 96.69 10.51 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.274 0.559 . . . . 0.0 111.457 -177.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -103.11 20.12 18.24 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.813 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -96.26 155.25 38.3 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.218 -174.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.578 ' O ' ' HE3' ' A' ' 124' ' ' LYS . 56.7 Cg_endo -91.36 -33.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.742 2.295 . . . . 0.0 113.825 173.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 53.8 m -148.53 28.73 0.87 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 -171.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 68.8 mt -90.61 148.15 22.85 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.776 -0.578 . . . . 0.0 110.715 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.1 m -99.89 129.71 46.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.916 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -113.54 99.08 7.48 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 28' ' ' LEU . 10.8 mp -81.88 136.04 35.37 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.122 0.487 . . . . 0.0 110.645 -179.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.6 mt -126.61 119.04 52.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.571 177.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 71.1 mt -104.76 134.07 47.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.854 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.496 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 24.2 t -104.66 112.71 25.9 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 120.903 0.382 . . . . 0.0 110.306 177.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.3 mm? -90.8 6.72 43.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.253 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.59 -33.49 72.8 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-O 121.407 0.623 . . . . 0.0 110.623 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -120.06 85.69 35.68 Favored Pre-proline 0 N--CA 1.447 -0.619 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.31 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.42 -6.48 19.27 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 123.319 2.679 . . . . 0.0 113.355 -173.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -72.08 -30.13 64.81 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.391 0.615 . . . . 0.0 109.682 178.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -164.58 78.14 1.44 Allowed Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 114.843 -1.072 . . . . 0.0 108.805 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.74 124.32 15.76 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.093 2.529 . . . . 0.0 112.377 -173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.6 t -72.83 119.61 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 C-N-CA 120.587 -0.445 . . . . 0.0 109.952 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.45 ' O ' HG13 ' A' ' 133' ' ' ILE . 37.1 m -118.24 126.42 52.14 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.003 176.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.431 ' HA ' HD11 ' A' ' 133' ' ' ILE . 58.1 mttm -139.96 165.56 26.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.414 0.626 . . . . 0.0 110.831 174.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.522 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 32.1 t -110.24 123.17 49.31 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 114.627 -1.17 . . . . 0.0 108.057 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.42 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 98.0 m-85 -112.32 130.3 56.0 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-O 121.13 0.49 . . . . 0.0 110.994 -176.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.2 mt -100.02 106.13 17.87 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.327 -0.851 . . . . 0.0 108.839 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.643 HG23 ' HG2' ' A' ' 95' ' ' LYS . 3.7 mp -90.34 119.02 36.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.578 ' HE3' ' O ' ' A' ' 101' ' ' PRO . 12.3 mmtm -126.45 -164.45 1.33 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.825 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.434 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 30.1 tptt -61.39 -53.68 53.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.433 -176.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.95 -38.8 64.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.865 -175.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 175.3 -148.23 9.38 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.502 -0.856 . . . . 0.0 112.129 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.42 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 7.3 p -114.33 131.39 66.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.266 0.555 . . . . 0.0 111.272 -177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -112.34 125.96 54.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.799 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -90.21 124.24 34.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.676 0.75 . . . . 0.0 111.789 -177.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.522 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.8 tp10 -88.74 147.65 24.37 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.608 -1.178 . . . . 0.0 110.246 -179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -78.52 140.49 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.797 -176.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 118' ' ' CYS . 40.1 mm -95.17 117.97 40.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.854 -176.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 50.8 mm -106.89 116.52 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 175.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 69.2 mt -89.94 110.58 21.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 0.0 110.431 -179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.497 ' HB3' HG22 ' A' ' 5' ' ' THR . 46.4 tttm -75.78 147.56 39.14 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.349 178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -63.58 -28.36 69.88 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.307 0.575 . . . . 0.0 111.498 -176.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 139' ' ' LEU . 9.5 tt0 176.13 -165.45 0.03 OUTLIER 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.526 -1.215 . . . . 0.0 108.3 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.405 ' H ' ' HG2' ' A' ' 138' ' ' GLU . 84.1 mt -62.06 170.32 2.25 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.172 0.51 . . . . 0.0 111.523 -175.091 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -69.16 135.64 50.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.716 -175.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -87.34 50.53 2.02 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.007 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -60.24 131.61 51.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.674 -177.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -59.09 -37.33 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.168 -178.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 52.9 m170 -64.0 108.22 1.45 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 173.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -105.54 134.22 49.0 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.917 -175.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.251 1.177 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.165 177.01 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.538 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.943 0.401 . . . . 0.0 110.4 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.646 HD13 HD11 ' A' ' 106' ' ' LEU . 14.1 tt -124.29 135.32 64.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 171.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.551 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 42.5 m -122.42 127.93 50.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.979 0.418 . . . . 0.0 111.783 -174.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -138.3 166.19 24.83 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.5 -0.773 . . . . 0.0 109.241 175.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.806 HG21 HD23 ' A' ' 139' ' ' LEU . 25.7 p -90.04 164.94 14.31 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.221 0.534 . . . . 0.0 111.678 -173.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -54.43 -43.18 71.34 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.562 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -58.58 -44.96 89.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.759 -1.11 . . . . 0.0 111.663 178.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.678 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 72.6 mm-40 -60.72 -40.47 92.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.672 0.272 . . . . 0.0 110.721 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.586 ' HE3' HD21 ' A' ' 135' ' ' LEU . 45.3 ttm -64.29 -45.36 88.32 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -57.64 -44.64 85.75 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.896 176.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -59.02 -46.08 89.09 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.467 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -64.77 -41.47 95.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.473 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 49.2 mt -61.07 -41.38 96.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.632 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.1 -45.56 84.7 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.855 0.36 . . . . 0.0 110.846 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.3 t60 -66.4 -33.59 76.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.156 178.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.588 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -58.5 -52.28 66.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.695 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 49.4 mtm105 -63.32 -38.02 89.51 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.119 0.485 . . . . 0.0 110.725 179.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -57.27 -38.68 74.28 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.582 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -98.44 -3.65 36.3 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -173.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 39.4 mt -56.8 142.95 71.32 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.05 0.453 . . . . 0.0 111.37 -178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -94.8 31.74 12.04 Favored 'Cis proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.902 -1.291 . . . . 0.0 113.461 1.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.497 ' N ' HD22 ' A' ' 22' ' ' ASN . 0.8 OUTLIER -83.47 158.3 22.1 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 179.099 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -69.27 109.54 4.16 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.555 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -73.33 115.84 13.17 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.108 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 51.2 t -116.73 158.9 23.09 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.687 -176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.601 ' HA3' ' HA ' ' A' ' 44' ' ' PRO . . . -172.69 -173.18 39.03 Favored Glycine 0 N--CA 1.444 -0.804 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.834 177.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 97.0 mt -123.11 156.07 35.71 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD11 HD13 ' A' ' 106' ' ' LEU . 49.6 mt -111.88 137.15 50.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.506 -176.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.713 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.99 143.26 15.08 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.557 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.69 -139.42 5.82 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 42.6 mtm180 -133.78 145.26 49.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.482 0.658 . . . . 0.0 111.4 176.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.444 ' H ' ' HG3' ' A' ' 32' ' ' ARG . 0.0 OUTLIER -112.92 121.19 43.94 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 171.036 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.415 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 34.1 t70 -87.12 -0.86 57.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.619 0.723 . . . . 0.0 110.977 -171.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.93 -49.42 0.75 Allowed Glycine 0 CA--C 1.501 -0.805 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.828 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -122.85 -30.32 3.84 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 115.094 -0.553 . . . . 0.0 109.903 177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -102.56 162.14 13.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.137 -176.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.7 ' HB3' HD13 ' A' ' 77' ' ' LEU . 0.6 OUTLIER -129.03 131.53 47.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.025 -178.875 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.551 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 9.2 m-90 -120.4 118.74 31.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.782 0.325 . . . . 0.0 110.536 174.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.9 t -90.68 133.87 31.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -176.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -111.45 -27.14 8.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.42 177.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.543 ' NH2' ' HA ' ' A' ' 69' ' ' MET . 14.6 ttp180 -152.48 143.98 23.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.826 -175.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.2 t -114.93 132.93 62.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.061 177.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.471 ' HD1' ' HA ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -116.24 87.3 19.38 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.841 178.336 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.601 ' HA ' ' HA3' ' A' ' 26' ' ' GLY . 3.6 Cg_exo -74.46 125.66 9.76 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.655 2.237 . . . . 0.0 111.9 179.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -93.8 179.47 5.34 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.051 0.453 . . . . 0.0 111.19 -176.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -96.28 155.64 16.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.333 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.474 ' OD1' ' HA ' ' A' ' 55' ' ' PHE . 51.2 t30 -95.84 97.84 9.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.244 0.545 . . . . 0.0 110.063 178.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.596 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.1 mm? -70.01 -15.93 63.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.39 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -73.21 -32.97 65.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.763 -175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 62.49 18.66 10.59 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.651 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -98.62 141.08 22.32 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.42 ' HD2' ' OE2' ' A' ' 53' ' ' GLU . 56.8 Cg_endo -73.83 -17.83 22.41 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.596 2.198 . . . . 0.0 112.964 179.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.42 ' OE2' ' HD2' ' A' ' 52' ' ' PRO . 1.5 pm0 -81.88 -54.72 5.11 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.499 -0.481 . . . . 0.0 111.812 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 81.3 m-70 -142.53 172.2 13.01 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -171.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.474 ' HA ' ' OD1' ' A' ' 47' ' ' ASN . 40.4 p90 -109.32 168.48 9.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.005 -179.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.2 m -142.05 2.07 1.5 Allowed 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.67 171.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 18.4 ptp 43.44 -164.63 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.23 1.012 . . . . 0.0 112.241 -178.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.596 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 33.5 t70 -135.22 141.32 37.47 Favored Pre-proline 0 C--N 1.33 -0.244 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 171.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.481 ' HD2' ' OD1' ' A' ' 58' ' ' ASP . 55.1 Cg_endo -72.06 -26.38 18.31 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.615 2.21 . . . . 0.0 113.39 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -73.16 -47.02 47.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.319 -175.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.587 ' HG2' ' HB3' ' A' ' 58' ' ' ASP . 7.1 pt-20 -71.65 -32.42 67.89 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.309 177.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 66' ' ' VAL . 30.2 tt0 -58.45 -50.51 73.46 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.747 174.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 62.8 tp -64.04 -42.42 97.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.073 0.463 . . . . 0.0 110.744 -178.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 31.6 m -62.38 -40.09 95.33 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.928 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.87 97.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.815 0.34 . . . . 0.0 111.051 179.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 62' ' ' GLN . 64.2 t -66.0 -40.97 88.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.525 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -67.94 -44.69 76.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.537 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 12.9 t70 -60.53 -34.65 74.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.426 0.631 . . . . 0.0 110.355 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.713 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 22.5 tpp -57.03 -48.76 77.73 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.718 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -74.65 -24.79 58.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.992 0.425 . . . . 0.0 110.308 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 23.2 ttpt -61.46 -39.59 91.44 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.884 174.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -78.24 -19.18 54.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.345 -179.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 104.79 23.33 7.89 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.648 178.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.542 ' CD1' ' HG3' ' A' ' 31' ' ' ARG . 1.2 m-90 -134.63 173.59 11.5 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.463 0.173 . . . . 0.0 110.909 -178.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.5 m -118.6 161.63 17.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.925 0.393 . . . . 0.0 110.994 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.3 tmm? -91.53 126.65 36.69 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.7 HD13 ' HB3' ' A' ' 37' ' ' ARG . 73.2 mt -96.35 -15.39 21.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 112.249 -169.712 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.521 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 148.87 -161.99 28.81 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.738 -0.744 . . . . 0.0 111.581 -177.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -125.06 168.37 13.46 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.489 0.661 . . . . 0.0 111.16 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.43 ' CE2' ' HA3' ' A' ' 26' ' ' GLY . 24.7 p90 -135.55 154.07 51.49 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.423 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.555 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 21.1 p-80 -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.245 176.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.561 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 27.6 p -113.45 149.7 33.84 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.799 -175.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -107.02 142.59 25.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.24 -0.436 . . . . 0.0 109.872 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_endo -83.87 -35.02 0.24 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.535 2.157 . . . . 0.0 114.517 -174.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -138.64 27.27 2.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 p -140.52 155.78 69.63 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.104 -176.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.71 168.82 7.92 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.316 2.677 . . . . 0.0 112.921 -178.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.24 67.26 9.72 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.402 -176.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -156.38 147.81 16.88 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.3 174.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_endo -56.99 118.07 4.87 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.882 2.388 . . . . 0.0 113.038 -177.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.5 m -77.94 174.29 11.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.755 175.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.39 -43.35 92.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.14 0.495 . . . . 0.0 110.889 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -69.87 -36.27 75.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.595 179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.44 -34.75 76.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.434 0.635 . . . . 0.0 110.06 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -57.69 -32.55 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.22 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -75.5 -17.64 60.05 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.921 -177.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 90.9 mt -86.81 10.83 14.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.595 -176.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -82.33 94.29 7.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.107 0.479 . . . . 0.0 110.746 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -108.04 -10.94 15.38 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.711 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 103' ' ' LEU . 2.0 m-20 -81.28 143.25 51.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.407 -174.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 2.1 Cg_endo -82.85 -56.37 0.03 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.604 2.203 . . . . 0.0 112.839 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 27.0 t -135.59 18.94 3.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.106 0.479 . . . . 0.0 110.861 -175.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.521 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 91.9 mt -87.59 158.12 18.96 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.362 -178.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.1 m -97.39 132.3 43.24 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.712 0.292 . . . . 0.0 111.037 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.478 ' HB2' ' O ' ' A' ' 121' ' ' PHE . 88.6 m-85 -96.24 134.63 39.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.53 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.646 HD11 HD13 ' A' ' 2' ' ' ILE . 8.7 mp -109.37 121.97 46.34 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 170.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.4 mt -113.42 121.93 66.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.308 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.561 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 44.5 mt -109.8 133.26 55.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.096 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 34.9 t -99.77 118.65 36.71 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 177.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.69 26.29 4.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.13 177.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.86 -32.84 72.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.094 177.067 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.457 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 6.1 tp10 -133.32 139.47 34.19 Favored Pre-proline 0 C--N 1.329 -0.304 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 176.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -93.5 -13.05 1.24 Allowed 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 122.176 1.917 . . . . 0.0 113.061 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.457 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 39.7 mt-30 -78.1 -31.27 49.96 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.72 179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 57.1 mmtt -151.66 80.51 6.19 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.419 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -72.03 128.89 14.49 Favored 'Trans proline' 0 N--CA 1.461 -0.433 0 C-N-CA 122.157 1.904 . . . . 0.0 111.272 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.98 121.24 38.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.088 -178.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.415 ' SG ' HG12 ' A' ' 108' ' ' ILE . 49.1 t -115.87 119.34 35.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.913 177.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.13 166.11 23.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.864 0.364 . . . . 0.0 110.461 178.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.487 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 10.9 t -112.42 137.43 50.61 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 177.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' O ' ' HB2' ' A' ' 105' ' ' TYR . 93.2 m-85 -135.06 131.11 36.6 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 178.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 93.2 mt -87.01 105.85 17.43 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 173.005 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 54.3 mt -96.79 108.55 21.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.281 0.562 . . . . 0.0 110.206 -175.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -106.88 -172.08 2.01 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.95 177.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.17 -51.44 7.05 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.687 0.756 . . . . 0.0 108.973 176.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.52 1.37 33.79 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 114.498 -1.228 . . . . 0.0 112.425 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 166.32 172.58 33.8 Favored Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.309 -0.948 . . . . 0.0 113.386 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.5 143.84 39.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 20.7 t70 -121.7 141.49 51.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -96.85 130.84 44.07 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.784 0.326 . . . . 0.0 111.317 -177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.538 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 9.5 tp10 -123.09 146.29 47.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.182 178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -97.92 146.81 25.09 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.183 0.516 . . . . 0.0 110.781 -176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.23 134.56 39.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.354 -178.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 48.6 mm -110.07 126.19 67.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.382 175.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.586 HD21 ' HE3' ' A' ' 9' ' ' MET . 92.0 mt -98.35 120.59 39.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.373 . . . . 0.0 111.6 -178.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.458 ' HE3' ' O ' ' A' ' 138' ' ' GLU . 40.9 mtmt -111.52 177.52 4.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.282 175.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -103.38 -25.21 13.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.127 0.965 . . . . 0.0 108.573 171.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.846 ' HB3' ' HB3' ' A' ' 145' ' ' HIS . 4.2 pt-20 -94.0 147.8 22.77 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.788 -1.551 . . . . 0.0 110.939 -179.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.806 HD23 HG21 ' A' ' 5' ' ' THR . 44.5 mt -77.12 -156.87 0.08 Allowed 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.807 177.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -77.97 75.89 4.5 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 168.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.447 ' HD2' ' O ' ' A' ' 143' ' ' HIS . 19.0 t60 -143.53 116.63 8.92 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.146 -175.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -76.99 105.84 8.3 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.443 -174.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.447 ' O ' ' HD2' ' A' ' 141' ' ' HIS . 1.7 t-80 70.74 165.37 0.28 Allowed 'General case' 0 N--CA 1.465 0.283 0 O-C-N 124.428 1.08 . . . . 0.0 109.869 -176.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 66.91 78.14 0.26 Allowed 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 138' ' ' GLU . 0.4 OUTLIER -104.07 72.52 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.146 0.498 . . . . 0.0 111.561 179.362 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 145' ' ' HIS . 13.0 t60 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.517 -1.219 . . . . 0.0 108.434 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.714 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 109.994 -0.372 . . . . 0.0 109.994 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.508 ' CG2' HG12 ' A' ' 133' ' ' ILE . 11.0 tt -116.4 129.66 72.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.015 0.436 . . . . 0.0 110.017 174.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.4 HG23 HG22 ' A' ' 134' ' ' ILE . 10.5 m -111.96 123.88 51.21 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.642 -178.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.9 pp -146.9 165.29 30.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.309 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.655 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.5 p -98.02 164.59 12.28 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.005 0.431 . . . . 0.0 111.091 -174.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -37.74 78.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.335 174.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.6 -42.98 97.89 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.773 178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.655 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.3 mm100 -63.21 -43.01 99.33 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.922 0.392 . . . . 0.0 110.351 176.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.2 ttm -60.76 -44.51 96.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.474 176.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -60.53 -40.36 91.22 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.245 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -58.73 -44.44 90.46 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 69.5 mtm -70.25 -46.91 63.46 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.759 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 52.4 mt -59.41 -48.15 82.73 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.792 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.451 ' O ' ' HG2' ' A' ' 17' ' ' ARG . . . -61.13 -40.2 92.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.93 -179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 27.9 t60 -70.7 -38.47 73.67 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.762 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.17 -49.44 74.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.978 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 14' ' ' ALA . 10.0 ptm180 -64.79 -31.77 73.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.41 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -66.35 -45.02 81.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.576 176.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -83.47 1.56 41.14 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 -171.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 79.1 mt -58.74 146.72 74.01 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 120.711 0.291 . . . . 0.0 110.86 178.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -93.67 22.76 28.45 Favored 'Cis proline' 0 C--N 1.345 0.376 0 C-N-CA 123.866 -1.306 . . . . 0.0 113.263 1.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -79.71 141.66 36.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 -179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -64.9 99.44 0.34 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.148 0.499 . . . . 0.0 110.059 175.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -80.27 138.28 36.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.264 -175.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 76.0 m -137.11 167.55 21.32 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.876 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.92 -164.48 27.56 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 179.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.556 HD11 ' HG2' ' A' ' 62' ' ' GLN . 97.0 mt -123.54 153.68 40.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.101 0.477 . . . . 0.0 110.688 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 98.3 mt -117.03 129.15 55.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.844 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.99 159.35 17.63 Favored Glycine 0 N--CA 1.442 -0.945 0 C-N-CA 120.846 -0.692 . . . . 0.0 111.84 -178.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 161.2 -140.92 6.96 Favored Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.545 -0.836 . . . . 0.0 111.863 178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.584 ' HD3' ' OE2' ' A' ' 40' ' ' GLU . 26.4 mtp180 -110.93 144.35 40.13 Favored 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -178.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.516 ' HG2' HG21 ' A' ' 75' ' ' VAL . 34.3 ptt180 -138.75 132.87 31.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 172.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -98.01 -1.74 41.93 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.767 0.794 . . . . 0.0 110.052 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 113.67 -51.1 0.73 Allowed Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.757 179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -92.57 -36.44 13.02 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.385 -0.407 . . . . 0.0 110.038 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -125.01 162.48 24.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 121.532 0.682 . . . . 0.0 111.069 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.19 143.9 49.49 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.526 -1.215 . . . . 0.0 111.477 -178.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 17.1 m-90 -125.41 112.5 16.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.879 177.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.481 HG22 HD12 ' A' ' 77' ' ' LEU . 39.5 t -80.94 106.99 12.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.52 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.584 ' OE2' ' HD3' ' A' ' 31' ' ' ARG . 92.7 mt-10 -108.38 -7.76 15.79 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.476 -179.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HD2' ' HA ' ' A' ' 41' ' ' ARG . 18.8 tpt180 -146.98 139.33 24.74 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.958 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG23 ' NE2' ' A' ' 8' ' ' GLN . 96.1 t -115.67 129.88 71.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.793 0.33 . . . . 0.0 110.277 178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -116.07 86.5 17.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.824 178.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -88.54 110.92 0.61 Allowed 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.773 2.315 . . . . 0.0 112.945 -175.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 mp -88.56 172.48 9.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.884 177.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -92.54 177.74 6.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -85.23 108.6 17.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 174.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.627 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.5 mm? -75.4 -4.18 37.96 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -176.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -86.83 173.64 9.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.155 0.503 . . . . 0.0 110.263 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -98.87 7.17 46.32 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.648 -0.706 . . . . 0.0 109.335 176.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.6 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 10.4 m -119.61 143.12 34.12 Favored Pre-proline 0 N--CA 1.449 -0.525 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.18 -173.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -81.52 -19.08 7.84 Favored 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.372 2.048 . . . . 0.0 111.424 172.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -96.59 0.36 49.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.779 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.6 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 53.2 m170 -125.58 143.78 50.86 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.5 p90 -118.1 110.31 17.47 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-O 121.213 0.53 . . . . 0.0 110.301 179.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -111.1 139.66 46.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.472 -178.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HD23 ' A' ' 48' ' ' LEU . 60.6 mmm -115.6 147.61 40.57 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.732 178.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.627 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.1 t70 -92.88 138.34 23.49 Favored Pre-proline 0 C--N 1.327 -0.394 0 C-N-CA 120.162 -0.615 . . . . 0.0 109.529 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 7.1 Cg_exo -76.58 -29.47 5.8 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 122.435 2.09 . . . . 0.0 112.527 -177.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 -75.63 -38.67 58.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.612 -176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -68.94 -36.44 77.96 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.341 177.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.556 ' HG2' HD11 ' A' ' 27' ' ' LEU . 24.9 mt-30 -65.24 -44.24 88.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.687 -0.233 . . . . 0.0 110.519 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 60.9 tp -57.95 -45.49 86.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.961 0.41 . . . . 0.0 110.623 177.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -69.02 -34.05 74.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.645 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.58 ' O ' ' HG3' ' A' ' 69' ' ' MET . . . -67.02 -45.44 77.49 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.682 178.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 62' ' ' GLN . 96.3 t -64.01 -37.08 78.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.799 0.333 . . . . 0.0 110.308 178.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -60.3 -37.49 80.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 175.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -71.87 -47.16 54.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.516 178.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 65' ' ' ALA . 50.2 mtt -55.89 -48.27 75.92 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.05 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -60.01 -41.79 92.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.52 -177.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.28 -36.99 66.4 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.98 -177.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -77.59 -20.56 53.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.044 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 110.91 8.03 24.59 Favored Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.887 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 6.3 m0 -107.42 178.46 4.53 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.024 0.44 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.516 HG21 ' HG2' ' A' ' 32' ' ' ARG . 23.7 m -136.94 168.76 21.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.764 174.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.2 ttp -86.95 128.23 35.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 110.189 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD12 HG22 ' A' ' 39' ' ' VAL . 63.0 mt -101.47 -27.66 13.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.492 -175.145 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 162.04 -157.5 29.32 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.322 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -142.54 159.79 41.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.006 0.432 . . . . 0.0 110.938 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.2 p90 -121.87 142.44 50.25 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.827 -177.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -121.76 134.83 54.93 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 26.4 p -115.05 147.5 40.07 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.776 0.322 . . . . 0.0 111.091 -178.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.474 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 30.8 m80 -135.72 141.7 38.01 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.255 177.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.0 OUTLIER -85.56 -57.01 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.744 2.296 . . . . 0.0 113.777 -174.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -101.39 24.38 9.69 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.134 0.492 . . . . 0.0 111.321 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.474 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.2 OUTLIER -140.52 153.57 68.45 Favored Pre-proline 0 C--N 1.321 -0.671 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.659 -179.884 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.557 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 87.2 Cg_endo -88.02 -171.31 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.846 2.364 . . . . 0.0 112.7 -178.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.31 88.09 3.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.819 178.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -135.66 149.66 69.75 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.215 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -70.83 96.23 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.748 0 C-N-CA 122.172 1.915 . . . . 0.0 110.208 167.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 94' ' ' ASP . 24.5 m -77.08 169.34 18.51 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.617 -176.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.424 ' O ' ' HG3' ' A' ' 96' ' ' ARG . . . -56.42 -43.17 79.13 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.818 0.342 . . . . 0.0 111.666 -175.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 4.8 tp10 -72.83 -47.11 49.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.464 -177.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 91' ' ' SER . 11.0 m-20 -58.77 -39.71 81.83 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.125 0.488 . . . . 0.0 110.745 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.432 ' HB2' ' O ' ' A' ' 91' ' ' SER . 6.3 tmtt? -59.57 -41.16 89.56 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.747 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.424 ' HG3' ' O ' ' A' ' 92' ' ' ALA . 54.8 mtm180 -76.84 -35.78 57.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.746 -178.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 58.9 mt -85.2 18.11 2.74 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.533 0.568 . . . . 0.0 112.533 -172.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -78.77 88.34 4.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.083 0.468 . . . . 0.0 110.342 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -121.24 -10.51 8.95 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.863 -176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.435 ' HA ' ' HD3' ' A' ' 101' ' ' PRO . 31.5 m-20 -75.0 143.97 78.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.635 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 100' ' ' ASP . 3.1 Cg_exo -81.13 -55.74 0.04 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.809 2.339 . . . . 0.0 113.477 -176.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.5 m -124.55 11.69 8.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.84 0.352 . . . . 0.0 111.443 -173.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 65.0 mt -91.01 139.47 30.74 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.348 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 16.3 m -86.39 133.02 33.81 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.609 -179.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -95.02 105.16 17.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.19 177.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 7.9 mp -94.16 130.07 40.51 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.307 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 74.9 mt -117.03 126.54 74.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.155 178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 54.1 mt -106.06 129.66 58.91 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.993 -176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.557 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 41.4 t -96.94 116.32 28.97 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.743 178.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 84' ' ' PRO . 3.5 mm? -100.06 1.18 42.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.941 0.401 . . . . 0.0 110.211 175.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.432 ' O ' ' HD3' ' A' ' 113' ' ' PRO . . . -65.16 -33.42 75.97 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.652 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -113.02 86.87 9.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.607 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.432 ' HD3' ' O ' ' A' ' 111' ' ' ALA . 10.8 Cg_exo -70.36 -12.34 31.59 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.827 2.351 . . . . 0.0 112.884 -174.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -69.48 -33.26 72.62 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.335 0.588 . . . . 0.0 109.678 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 21.1 mmtm -156.43 85.97 3.04 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 114.886 -1.052 . . . . 0.0 109.273 177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.6 106.1 0.34 Allowed 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.483 2.122 . . . . 0.0 111.744 -178.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 52.6 t -74.92 121.4 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.729 -175.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 42.4 t -115.46 126.05 53.85 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 173.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 46.2 mtpt -123.7 157.37 34.05 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 31.1 t -106.2 132.78 51.86 Favored 'General case' 0 C--N 1.316 -0.88 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -123.55 129.99 52.01 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.146 0.498 . . . . 0.0 110.932 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 129' ' ' ASP . 92.0 mt -102.9 108.33 19.49 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 171.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 128' ' ' VAL . 26.4 mt -101.78 120.8 51.92 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.256 0.55 . . . . 0.0 111.68 -170.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -82.03 -176.94 6.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.235 172.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -54.04 -55.5 26.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.015 0.436 . . . . 0.0 110.316 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -132.58 71.68 1.48 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.516 0.674 . . . . 0.0 110.15 173.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 171.4 139.53 2.81 Favored Glycine 0 C--O 1.223 -0.548 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.2 172.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.538 HG23 HG12 ' A' ' 123' ' ' ILE . 11.5 p -115.37 129.96 70.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.322 0.582 . . . . 0.0 111.623 -178.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 122' ' ' LEU . 19.4 m-20 -100.81 115.75 31.06 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.093 176.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -81.52 124.5 29.54 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 121.07 0.462 . . . . 0.0 110.596 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 10.2 tp10 -111.44 147.72 34.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.19 -178.058 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -92.17 158.49 16.14 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.656 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.508 HG12 ' CG2' ' A' ' 2' ' ' ILE . 42.4 mt -118.45 130.96 72.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.084 -176.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.714 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.3 mp -100.77 130.04 50.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 176.585 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.421 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 63.0 mt -107.02 141.05 38.85 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 121.224 0.535 . . . . 0.0 111.765 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -125.02 148.98 48.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.624 171.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -82.36 -26.29 33.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.129 0.49 . . . . 0.0 111.245 -176.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -121.58 166.19 14.58 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.273 178.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.563 ' HA ' HG21 ' A' ' 5' ' ' THR . 97.7 mt -61.72 163.42 7.32 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.023 0.44 . . . . 0.0 111.446 -179.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.75 158.05 36.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.942 -175.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -91.07 84.15 5.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.922 0.868 . . . . 0.0 112.092 -173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -114.54 -4.82 12.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.483 172.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 177.64 152.27 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.628 -1.169 . . . . 0.0 108.245 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -144.64 119.06 9.62 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.096 0.474 . . . . 0.0 110.355 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -146.53 131.82 18.5 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.243 -176.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.3 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.784 -0.627 . . . . 0.0 109.473 174.56 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.545 ' HG3' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.421 ' CG2' HG12 ' A' ' 133' ' ' ILE . 12.5 tt -100.02 135.51 35.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 121.171 0.51 . . . . 0.0 110.577 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.4 m -125.17 128.44 48.37 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.693 -178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.484 ' O ' ' HA ' ' A' ' 135' ' ' LEU . 3.6 pp -148.02 165.09 31.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.836 174.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.646 HG21 ' HA ' ' A' ' 139' ' ' LEU . 43.5 p -107.41 169.67 8.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.881 -170.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -54.42 -42.5 70.58 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.438 178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.27 -38.04 89.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.52 -177.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.498 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.6 mm100 -67.0 -40.77 87.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 51.3 tpp -59.89 -47.39 85.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.978 176.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.45 -40.02 85.52 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.985 178.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -64.68 -41.34 96.12 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.289 178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 71.2 mtm -70.03 -44.67 68.79 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.597 -0.274 . . . . 0.0 110.631 176.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 41.5 mt -60.34 -39.83 88.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.341 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.43 -44.5 97.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 72.2 t60 -69.19 -34.91 75.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.334 . . . . 0.0 110.362 177.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.514 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -61.81 -52.58 63.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.256 178.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 ' HA ' ' HG ' ' A' ' 20' ' ' LEU . 14.8 ptm180 -64.68 -31.8 73.18 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 121.102 0.477 . . . . 0.0 110.413 179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -66.73 -41.96 87.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.665 177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.02 5.65 36.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.332 -174.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 84' ' ' PRO . 76.7 mt -63.04 146.71 95.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.7 0.286 . . . . 0.0 110.536 177.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' O ' ' HB3' ' A' ' 52' ' ' PRO . 84.6 Cg_endo -100.51 39.15 4.94 Favored 'Cis proline' 0 N--CA 1.453 -0.887 0 C-N-CA 124.048 -1.23 . . . . 0.0 112.873 -1.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' HA ' ' HA ' ' A' ' 52' ' ' PRO . 74.3 m-20 -102.92 -171.08 1.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.788 0.327 . . . . 0.0 110.727 -178.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.514 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . 4.4 mm-40 -72.61 105.76 4.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.054 177.621 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.567 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -75.89 103.02 5.77 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.931 176.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.7 p -115.21 167.49 10.79 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.527 -173.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.95 -175.2 45.34 Favored Glycine 0 N--CA 1.446 -0.7 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.4 mt -123.43 154.07 39.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 HD22 ' A' ' 106' ' ' LEU . 94.2 mt -113.67 132.31 55.83 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.54 179.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.21 140.35 13.44 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.94 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA2' ' CD1' ' A' ' 74' ' ' TRP . . . 170.78 -137.67 4.55 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.781 -0.723 . . . . 0.0 111.329 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.1 mtp180 -122.04 130.62 53.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.749 0.275 . . . . 0.0 110.829 178.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.426 ' HG2' HG21 ' A' ' 75' ' ' VAL . 14.8 ptm180 -115.71 122.61 46.03 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 171.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -131.67 111.29 11.56 Favored 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 63.8 -112.29 4.86 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.43 -0.891 . . . . 0.0 110.922 -172.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -115.53 17.25 16.42 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.871 0.367 . . . . 0.0 111.122 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -103.2 139.37 38.77 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.385 0.612 . . . . 0.0 109.464 172.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -130.27 126.99 38.65 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.734 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.429 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 9.7 m-90 -117.32 114.1 23.09 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.774 0.321 . . . . 0.0 110.406 178.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.425 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 33.0 t -85.03 95.62 4.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.181 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.71 -24.45 21.56 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.748 -177.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.45 ' HD2' ' CE1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -149.98 128.24 12.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 0.0 110.718 177.34 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.44 135.85 28.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.988 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.45 ' CE1' ' HD2' ' A' ' 41' ' ' ARG . 42.1 m-85 -119.1 86.76 32.87 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 121.147 0.499 . . . . 0.0 110.968 179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.461 ' HB3' ' CG ' ' A' ' 15' ' ' HIS . 31.0 Cg_exo -62.05 113.01 1.69 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.129 2.553 . . . . 0.0 111.713 178.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 57' ' ' MET . 4.1 tt -92.05 145.1 24.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.433 -177.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.453 ' N ' HD23 ' A' ' 45' ' ' LEU . 27.6 t-20 -62.94 149.29 45.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.008 0.432 . . . . 0.0 111.303 -178.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -82.4 96.45 7.97 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.286 -0.416 . . . . 0.0 109.911 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -36.41 84.19 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.252 -177.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -86.11 172.17 10.79 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -178.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -116.64 14.95 15.51 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.81 0.814 . . . . 0.0 109.04 177.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.457 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 19.2 m -102.98 142.6 24.89 Favored Pre-proline 0 N--CA 1.449 -0.524 0 CA-C-N 114.698 -1.137 . . . . 0.0 110.552 -179.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.578 ' HD2' ' OE1' ' A' ' 53' ' ' GLU . 2.4 Cg_endo -88.2 -10.49 4.78 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 123.129 2.552 . . . . 0.0 113.133 177.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 52' ' ' PRO . 1.5 mp0 -100.28 -13.09 18.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.815 0.341 . . . . 0.0 111.322 -176.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.62 142.46 50.45 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.064 0.459 . . . . 0.0 110.508 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.514 ' HB3' ' HB3' ' A' ' 23' ' ' GLU . 40.1 p90 -114.91 144.48 43.49 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.547 178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.8 m -142.91 134.27 26.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 120.962 0.41 . . . . 0.0 110.403 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB3' HD13 ' A' ' 45' ' ' LEU . 59.9 mtm -121.93 117.06 25.52 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.802 . . . . 0.0 109.701 -178.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.446 ' HA ' ' HD3' ' A' ' 59' ' ' PRO . 19.0 t70 -66.79 142.0 97.2 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 -174.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 46.2 Cg_exo -58.25 -36.57 97.62 Favored 'Trans proline' 0 C--N 1.349 0.6 0 C-N-CA 123.199 2.6 . . . . 0.0 112.958 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -70.65 -40.67 72.89 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.024 0.44 . . . . 0.0 109.832 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -61.58 -39.83 92.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.283 176.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 78.6 mt-30 -63.78 -50.03 70.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.346 176.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 58.0 tp -58.78 -41.51 86.83 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 -177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 39.2 m -61.16 -45.01 96.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.675 178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.83 -45.49 71.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.046 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.14 -40.68 89.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.021 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.0 -43.86 91.59 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.028 0.442 . . . . 0.0 110.445 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 22.4 t70 -70.96 -41.58 70.88 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.496 0.665 . . . . 0.0 109.947 178.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.427 ' HG2' ' HB2' ' A' ' 74' ' ' TRP . 32.9 ttm -58.11 -50.33 73.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.728 -1.123 . . . . 0.0 111.346 -177.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -22.99 58.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.712 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 68.5 tttt -60.83 -41.44 95.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.28 -178.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -91.05 -19.28 23.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.705 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 116.53 32.34 1.63 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.295 -0.955 . . . . 0.0 113.412 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.441 ' CD1' ' HA2' ' A' ' 30' ' ' GLY . 7.6 m0 -110.55 160.38 16.7 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.066 0.46 . . . . 0.0 110.938 177.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.0 m -123.01 160.91 25.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.476 -0.784 . . . . 0.0 109.446 175.14 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.5 ttp -79.2 117.01 19.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.097 0.475 . . . . 0.0 110.397 -177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -81.96 -30.88 31.47 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.561 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.67 -161.08 29.67 Favored Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.245 -178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -133.24 168.66 18.16 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' HB3' ' HB2' ' A' ' 106' ' ' LEU . 55.4 p90 -138.73 162.51 34.51 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.89 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 42.5 p-80 -154.06 142.23 20.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.49 174.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 24' ' ' ALA . 12.4 m -123.49 138.62 54.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.688 0.28 . . . . 0.0 111.327 -172.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 32.9 m170 -107.15 142.46 25.11 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.217 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 20' ' ' LEU . 6.0 Cg_endo -88.33 -56.04 0.02 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.975 2.45 . . . . 0.0 113.61 -177.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.55 17.46 24.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.006 0.431 . . . . 0.0 111.104 -175.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.88 155.94 72.88 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.012 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.456 ' HA ' ' OG ' ' A' ' 109' ' ' SER . 74.0 Cg_endo -78.24 -167.02 0.44 Allowed 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.674 2.25 . . . . 0.0 112.797 -177.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.424 ' O ' ' HB2' ' A' ' 89' ' ' ARG . . . -92.04 -165.88 1.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.52 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 90.3 mtt-85 74.21 144.22 0.1 Allowed Pre-proline 0 C--O 1.232 0.174 0 O-C-N 123.886 0.741 . . . . 0.0 111.553 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 14.5 Cg_exo -69.37 112.84 3.12 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.84 2.36 . . . . 0.0 112.458 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.479 ' N ' ' HB3' ' A' ' 94' ' ' ASP . 24.3 t -78.11 -169.56 1.64 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 172.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -61.81 -48.36 80.94 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.276 -0.265 . . . . 0.0 111.628 -175.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.484 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 37.1 mt-10 -73.25 -40.5 64.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.825 0.345 . . . . 0.0 110.285 178.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' HB3' ' N ' ' A' ' 91' ' ' SER . 10.2 t70 -58.48 -45.21 89.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.572 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -57.99 -42.11 84.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.308 179.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -76.02 -17.19 59.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.493 -174.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 92.0 mt -84.61 13.91 5.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.342 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -126.54 116.13 20.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.949 0.404 . . . . 0.0 110.216 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -116.91 -14.67 10.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.271 -176.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' A' ' 101' ' ' PRO . 10.7 t70 -116.97 89.33 29.37 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 120.885 0.374 . . . . 0.0 111.605 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.899 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 36.4 Cg_endo -64.5 -4.22 7.85 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.321 2.681 . . . . 0.0 113.441 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.7 m -84.15 -15.95 45.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 110.05 -177.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.6 mt -104.71 168.38 9.11 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.307 178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 14.9 t -108.67 133.25 53.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -107.68 101.27 10.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.045 0.45 . . . . 0.0 109.918 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.543 ' HB2' ' HB3' ' A' ' 80' ' ' PHE . 7.4 mp -80.15 135.57 36.33 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.13 -179.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 57.3 mt -127.35 119.3 52.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.978 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 63.4 mt -107.85 138.14 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.008 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.456 ' OG ' ' HA ' ' A' ' 87' ' ' PRO . 29.6 t -110.75 117.67 34.09 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.841 0.353 . . . . 0.0 110.571 178.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -98.95 21.14 12.03 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.262 0.553 . . . . 0.0 110.132 179.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.48 -9.52 58.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.356 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -157.13 87.98 2.65 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -72.42 -4.89 16.09 Favored 'Trans proline' 0 N--CA 1.474 0.327 0 C-N-CA 123.457 2.771 . . . . 0.0 115.444 -166.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 60.5 mt-30 -66.35 -38.73 88.29 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.171 0.51 . . . . 0.0 110.023 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -151.25 81.52 6.1 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.143 174.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.73 135.94 63.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.629 2.219 . . . . 0.0 111.285 -178.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 41.8 t -79.91 119.01 28.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.376 -0.529 . . . . 0.0 109.652 -178.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 48.3 t -118.19 118.88 33.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.176 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 52.5 mttp -142.52 165.08 28.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.42 0.628 . . . . 0.0 110.931 173.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.6 m -112.84 118.61 35.39 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.829 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -108.27 129.17 55.22 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-O 121.186 0.517 . . . . 0.0 110.174 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.455 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 6.3 mp -95.49 106.94 19.06 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 174.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 63.3 mt -89.56 107.62 18.31 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-O 121.243 0.544 . . . . 0.0 109.683 -178.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.899 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 75.1 mmtt -97.13 -173.29 2.64 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.257 -176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.736 ' HE3' ' HA ' ' A' ' 125' ' ' LYS . 1.0 OUTLIER -65.89 -54.17 30.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.664 0.745 . . . . 0.0 109.967 177.62 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -71.65 -37.66 70.79 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.495 -1.229 . . . . 0.0 112.245 -175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -179.17 -166.79 35.63 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.149 -1.024 . . . . 0.0 112.614 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.5 p -106.39 137.84 34.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 111.109 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -120.94 126.45 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.862 178.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -88.1 132.25 34.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.97 0.414 . . . . 0.0 111.047 -177.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 1' ' ' MET . 25.5 tt0 -110.94 164.13 13.11 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -107.26 140.85 39.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.886 0.374 . . . . 0.0 111.0 -173.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.421 HG12 ' CG2' ' A' ' 2' ' ' ILE . 35.7 mt -102.64 130.33 52.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.461 -178.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.545 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -100.54 122.51 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 176.044 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 85.2 mt -104.56 133.84 48.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.586 -174.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.426 ' HB2' HG22 ' A' ' 5' ' ' THR . 1.6 mptm? -114.79 151.88 33.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.745 -0.662 . . . . 0.0 109.96 172.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -80.66 -25.43 38.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.92 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -114.98 155.23 27.32 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.68 -179.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.646 ' HA ' HG21 ' A' ' 5' ' ' THR . 91.2 mt -60.99 153.03 26.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.816 0.341 . . . . 0.0 110.598 177.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -64.83 150.94 46.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.496 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -74.3 94.99 2.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.268 -166.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -79.97 120.41 24.12 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 167.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -63.44 117.94 7.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.688 -175.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 70.55 95.26 0.07 Allowed 'General case' 0 C--O 1.232 0.157 0 O-C-N 124.179 0.924 . . . . 0.0 111.773 -177.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -78.87 -35.43 43.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.496 -0.928 . . . . 0.0 108.496 176.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.8 t60 . . . . . 0 C--O 1.241 0.644 0 CA-C-N 114.789 -1.096 . . . . 0.0 108.636 173.42 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.1 tt -107.88 124.62 64.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 174.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 m -107.35 120.24 41.61 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.233 -173.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.559 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.4 pp -139.52 164.37 30.08 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 175.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.691 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 29.5 p -92.43 163.17 13.95 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.648 -173.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -53.75 -42.24 67.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.264 175.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 33.1 ttmt -64.99 -39.35 93.34 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.036 -179.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.691 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 68.4 mm-40 -61.24 -41.17 96.42 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.866 0.365 . . . . 0.0 110.035 175.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 47.2 tpp -61.48 -46.61 89.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.73 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -59.0 -41.7 88.27 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.953 176.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 70.7 mm-40 -57.59 -47.14 82.93 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.056 176.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.5 mtm -69.96 -43.99 70.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.805 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 45.6 mt -61.17 -43.1 99.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.56 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -45.02 96.45 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.375 177.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' CG ' ' HB3' ' A' ' 44' ' ' PRO . 60.7 t60 -67.62 -34.29 76.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.041 179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.418 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -60.08 -47.56 85.39 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.041 0.448 . . . . 0.0 110.427 177.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.19 -32.75 72.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.226 177.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -64.03 -38.38 90.88 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.347 177.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.07 25.9 6.34 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -174.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD21 HD23 ' A' ' 110' ' ' LEU . 63.7 mt -63.51 161.38 35.19 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 120.449 0.166 . . . . 0.0 110.812 175.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -102.82 29.71 10.04 Favored 'Cis proline' 0 N--CA 1.457 -0.633 0 C-N-CA 124.7 -0.958 . . . . 0.0 113.449 0.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -118.82 -169.72 1.78 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.183 0.516 . . . . 0.0 111.965 -176.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HA ' ' O ' ' A' ' 82' ' ' SER . 19.8 mp0 -63.13 97.65 0.12 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.533 -178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.562 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -71.77 122.97 21.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.498 . . . . 0.0 109.959 176.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.7 m -116.95 167.2 11.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 -176.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -179.1 -174.35 45.18 Favored Glycine 0 N--CA 1.446 -0.657 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.0 mt -123.59 153.85 40.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 117.279 0.54 . . . . 0.0 110.604 -178.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.2 mt -114.73 129.53 56.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.803 -177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.605 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -122.44 136.32 10.71 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.297 -179.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.509 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 177.47 -147.7 8.36 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 23.0 mtp-105 -125.53 140.75 52.49 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 117.233 0.517 . . . . 0.0 110.606 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.499 ' HB3' HD22 ' A' ' 77' ' ' LEU . 23.0 ptt-85 -123.26 126.19 46.47 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 173.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -123.88 96.1 4.82 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.64 -99.78 1.04 Allowed Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 120.482 -0.865 . . . . 0.0 111.901 -176.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -109.46 -11.86 14.77 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.975 0.417 . . . . 0.0 110.648 -178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.83 140.62 29.51 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.441 0.639 . . . . 0.0 110.83 -176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.6 mtm-85 -131.38 127.1 36.86 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 114.748 -1.114 . . . . 0.0 111.109 -176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' O ' ' HA3' ' A' ' 30' ' ' GLY . 12.3 m-90 -125.29 130.6 52.35 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.779 -0.191 . . . . 0.0 110.867 178.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.619 HG22 HD12 ' A' ' 77' ' ' LEU . 61.0 t -108.88 124.63 65.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-O 120.596 0.236 . . . . 0.0 111.144 177.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 140' ' ' GLU . 0.8 OUTLIER -120.98 -25.03 5.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.199 0.523 . . . . 0.0 110.035 176.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 41' ' ' ARG . 2.2 tpm_? -130.95 117.35 19.1 Favored 'General case' 0 C--N 1.319 -0.739 0 C-N-CA 119.662 -0.815 . . . . 0.0 111.383 -179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.482 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 86.7 t -102.82 135.26 41.02 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.033 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.092 176.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -112.24 87.76 9.61 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.904 0.383 . . . . 0.0 110.202 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.482 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 18.1 Cg_exo -65.69 94.05 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.805 2.337 . . . . 0.0 111.369 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.808 HD23 ' HB3' ' A' ' 57' ' ' MET . 16.4 tp -91.86 174.42 7.34 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.47 -175.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 8.7 t30 -101.38 144.49 30.12 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.832 0.349 . . . . 0.0 110.519 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -88.08 118.44 27.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.885 177.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.529 ' HG ' ' HB2' ' A' ' 58' ' ' ASP . 3.8 mm? -71.05 -26.54 63.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.823 -176.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -101.58 98.12 8.47 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.741 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -75.73 80.31 2.68 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 176.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 35.0 m -154.6 146.21 16.88 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.99 -177.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -75.48 -9.48 20.11 Favored 'Trans proline' 0 CA--C 1.528 0.18 0 C-N-CA 122.531 2.154 . . . . 0.0 112.048 177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -113.32 -7.37 13.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.547 -177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -136.54 144.81 44.43 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.956 0.407 . . . . 0.0 110.841 -177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -157.76 125.49 5.28 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.962 176.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -143.35 146.47 33.55 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.716 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.808 ' HB3' HD23 ' A' ' 45' ' ' LEU . 3.9 mpp? -105.7 7.53 32.62 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 178.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.529 ' HB2' ' HG ' ' A' ' 48' ' ' LEU . 13.3 t70 72.91 140.53 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.574 0 O-C-N 124.15 0.906 . . . . 0.0 111.005 177.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.29 -38.12 77.69 Favored 'Trans proline' 0 CA--C 1.53 0.276 0 C-N-CA 122.631 2.221 . . . . 0.0 112.925 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -75.28 -45.31 40.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.753 0.311 . . . . 0.0 110.971 -176.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.628 ' HB2' ' O ' ' A' ' 57' ' ' MET . 9.7 mm-40 -65.27 -38.63 90.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.215 -178.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -67.95 -49.21 63.11 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.346 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.25 -43.75 98.11 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.663 0.268 . . . . 0.0 110.813 -176.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 29.0 m -64.19 -32.74 74.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.77 -44.01 78.45 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.659 0.266 . . . . 0.0 110.582 177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.9 t -65.68 -41.32 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.098 0.475 . . . . 0.0 110.221 176.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -59.06 -47.02 86.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.567 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -65.54 -39.12 91.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.991 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.605 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 26.0 tpp -59.2 -49.27 78.48 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.414 178.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -63.9 -43.02 97.22 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.533 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -58.9 -40.18 83.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.773 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -81.28 -19.69 42.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.295 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 121.15 -13.29 9.65 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.536 -0.84 . . . . 0.0 112.946 173.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 4.1 m-90 -99.04 -178.37 3.92 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.831 0.348 . . . . 0.0 111.22 -177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.46 164.25 35.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.144 176.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 26.3 ttt -78.43 121.28 24.32 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.91 0.386 . . . . 0.0 110.332 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.619 HD12 HG22 ' A' ' 39' ' ' VAL . 65.5 mt -91.91 -27.44 17.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.211 0.529 . . . . 0.0 110.347 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.49 -145.04 11.05 Favored Glycine 0 N--CA 1.441 -0.989 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.461 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -150.67 171.13 17.63 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -135.18 156.16 49.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.699 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.562 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 31.1 p80 -155.24 143.98 20.62 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.857 -0.61 . . . . 0.0 109.541 174.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.485 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 37.8 p -113.07 156.78 22.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.951 0.405 . . . . 0.0 111.489 -174.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -108.18 142.71 25.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.798 173.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -87.75 -32.68 0.16 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.635 2.223 . . . . 0.0 113.345 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -137.15 30.9 2.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.128 0.49 . . . . 0.0 111.127 -176.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -149.05 153.97 38.87 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_exo -73.62 -173.64 1.41 Allowed 'Trans proline' 0 C--O 1.241 0.633 0 C-N-CA 123.184 2.589 . . . . 0.0 113.016 -178.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -92.62 91.22 7.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.088 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -158.24 145.23 13.15 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.389 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.01 152.47 81.26 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.546 2.164 . . . . 0.0 112.537 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 46.4 m -104.11 168.66 8.97 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.453 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.76 98.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.252 0.549 . . . . 0.0 109.965 178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 93' ' ' GLU . 30.0 mp0 -68.08 -34.29 76.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.202 -0.908 . . . . 0.0 110.246 178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -69.98 -38.69 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.719 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 95' ' ' LYS . 7.6 tmtm? -68.35 -30.57 69.55 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.016 175.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.8 mmm180 -64.83 -27.8 69.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.77 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -95.93 3.74 53.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.683 0.278 . . . . 0.0 111.563 -176.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.43 92.8 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.417 0.627 . . . . 0.0 110.199 178.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -99.35 -3.04 34.82 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.468 -177.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -147.44 89.51 5.45 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.824 -178.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.934 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 32.3 Cg_exo -58.82 -3.97 1.76 Allowed 'Trans proline' 0 N--CA 1.481 0.751 0 C-N-CA 124.049 3.166 . . . . 0.0 114.222 -176.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 20.6 m -87.59 -8.99 55.59 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.207 0.527 . . . . 0.0 110.413 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -91.94 144.87 25.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.558 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.2 m -92.21 126.76 37.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.586 179.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.38 103.12 12.4 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.056 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.0 mp -89.13 134.25 34.08 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.027 0.441 . . . . 0.0 110.321 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 66.1 mt -122.59 123.01 67.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.347 -178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.485 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 63.7 mt -107.29 133.3 52.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.663 -178.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 4.4 m -95.71 104.84 16.78 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 175.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.47 HD23 HD21 ' A' ' 20' ' ' LEU . 24.7 tp -103.61 43.86 1.06 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.486 0.66 . . . . 0.0 109.557 -179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.48 -40.73 87.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.968 177.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.866 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 41.2 mt-10 -131.96 144.43 53.19 Favored Pre-proline 0 N--CA 1.444 -0.738 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.313 173.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_endo -68.53 -17.73 43.36 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.083 1.855 . . . . 0.0 111.205 175.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -106.7 17.12 23.64 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.263 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.866 ' HB3' ' HB2' ' A' ' 112' ' ' GLU . 83.8 tttt -159.09 71.83 3.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.488 -178.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 109' ' ' SER . 26.9 Cg_endo -95.5 124.26 0.32 Allowed 'Trans proline' 0 N--CA 1.45 -1.069 0 C-N-CA 123.109 2.54 . . . . 0.0 112.271 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.63 121.3 56.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 175.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 7.9 p -115.34 125.58 53.41 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.352 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt -137.48 163.61 30.7 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 173.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.4 t -117.78 135.25 54.18 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.338 178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.452 ' HB3' ' CG2' ' A' ' 128' ' ' VAL . 96.9 m-85 -129.09 131.27 47.25 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.268 0.556 . . . . 0.0 110.63 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.424 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 80.8 mt -98.05 106.87 19.23 Favored 'General case' 0 C--N 1.314 -0.959 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 175.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 40.2 mt -86.59 107.96 17.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 -178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.934 ' HA ' ' HB3' ' A' ' 101' ' ' PRO . 99.5 mttt -93.85 -169.4 2.08 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.919 -174.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.4 tttp -55.42 -59.6 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.259 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -81.6 -66.36 0.9 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.221 -176.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -127.27 -151.19 7.65 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.159 -1.02 . . . . 0.0 113.304 -173.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.452 ' CG2' ' HB3' ' A' ' 121' ' ' PHE . 13.5 p -121.96 141.21 43.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.938 0.399 . . . . 0.0 110.596 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.424 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 27.0 t70 -111.64 144.02 41.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.286 179.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -81.97 131.04 35.24 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.589 -177.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -124.51 133.18 53.41 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -94.68 140.46 29.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.642 -177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 60.4 mt -97.71 124.48 50.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.56 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 51.0 mm -100.36 126.03 54.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 177.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 79.6 mt -96.73 118.23 32.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.116 0.484 . . . . 0.0 110.983 -174.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.46 ' HD2' ' CG ' ' A' ' 138' ' ' GLU . 53.8 mmtt -105.01 164.56 11.7 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.797 177.286 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -115.38 -14.79 11.6 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-O 121.914 0.864 . . . . 0.0 109.491 170.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.46 ' CG ' ' HD2' ' A' ' 136' ' ' LYS . 8.0 pt-20 -91.33 136.45 33.1 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.671 178.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.566 HD23 HG21 ' A' ' 5' ' ' THR . 91.4 mt -84.27 157.27 21.61 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 1.1 pp20? -111.4 120.28 41.64 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.546 0.689 . . . . 0.0 110.708 -177.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 33.7 m170 -136.92 92.02 2.69 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 171.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -62.48 86.62 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.741 -169.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 50.19 30.4 4.29 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.659 0.784 . . . . 0.0 112.081 177.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . 0.476 ' O ' ' HB2' ' A' ' 145' ' ' HIS . 0.9 OUTLIER -146.37 106.74 4.05 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.488 -0.93 . . . . 0.0 108.488 178.284 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 144' ' ' HIS . 46.6 m170 72.77 161.28 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.112 0.883 . . . . 0.0 110.327 -170.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.5 t60 . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.143 -177.152 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.531 ' HA ' ' OE1' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.228 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.413 HD13 HD11 ' A' ' 106' ' ' LEU . 18.1 tt -112.04 139.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.091 0.472 . . . . 0.0 110.169 178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 134' ' ' ILE . 25.7 m -125.32 130.84 52.78 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.428 -179.187 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.9 pp -141.89 164.68 29.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.033 0.444 . . . . 0.0 110.183 177.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 HG21 ' HG ' ' A' ' 139' ' ' LEU . 76.2 p -104.24 173.62 6.23 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.862 -173.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -55.54 -42.74 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.285 176.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -57.16 -38.49 73.64 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.542 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.523 HE21 HG12 ' A' ' 39' ' ' VAL . 10.9 mm100 -66.79 -46.35 75.54 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.658 0.266 . . . . 0.0 110.343 177.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.5 tpp -57.58 -46.71 83.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.723 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -61.35 -43.57 98.64 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.579 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 42' ' ' VAL . 18.5 mt-10 -61.95 -42.51 99.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.75 0.31 . . . . 0.0 111.199 178.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.6 mtm -70.17 -44.58 68.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.528 177.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.74 -45.64 93.07 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.607 -179.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.93 -40.72 85.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.932 0.396 . . . . 0.0 110.683 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 73.2 t60 -70.4 -36.89 74.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.166 177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.621 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.31 -53.58 50.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.544 -179.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -38.99 85.71 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.208 0.528 . . . . 0.0 110.657 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -61.21 -36.2 79.26 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.311 -0.859 . . . . 0.0 111.455 -178.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.622 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -102.15 3.86 38.92 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -175.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 48.5 mt -64.47 150.45 93.43 Favored Pre-proline 0 C--N 1.331 -0.238 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 176.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -98.96 67.64 0.28 Allowed 'Cis proline' 0 N--CA 1.453 -0.902 0 C-N-CA 124.065 -1.223 . . . . 0.0 113.1 -0.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -126.24 177.01 6.67 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 177.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.614 ' HA ' ' O ' ' A' ' 82' ' ' SER . 25.3 mt-10 -79.23 85.21 5.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.143 0.497 . . . . 0.0 110.219 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.643 ' O ' ' HA ' ' A' ' 81' ' ' HIS . . . -59.24 111.91 1.53 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.739 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 8.6 t -116.64 167.5 11.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.431 0.634 . . . . 0.0 111.572 -174.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 179.81 -160.33 25.38 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.483 ' HG ' HD11 ' A' ' 45' ' ' LEU . 68.3 mt -123.71 154.72 39.04 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.667 0.733 . . . . 0.0 110.777 179.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 95.5 mt -119.79 136.42 54.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.404 179.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.16 161.48 16.29 Favored Glycine 0 N--CA 1.44 -1.041 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.88 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.489 ' HA2' ' HG3' ' A' ' 40' ' ' GLU . . . 156.52 -163.45 32.09 Favored Glycine 0 N--CA 1.441 -0.985 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.456 ' HB2' ' CD1' ' A' ' 74' ' ' TRP . 2.6 ttm180 -110.59 142.0 43.02 Favored 'General case' 0 N--CA 1.439 -0.995 0 C-N-CA 120.174 -0.61 . . . . 0.0 111.033 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NH2' ' HA ' ' A' ' 77' ' ' LEU . 8.8 ptp85 -112.11 120.86 43.26 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 166.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -116.47 27.71 9.03 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.896 0.855 . . . . 0.0 109.067 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 135.81 -120.41 2.26 Favored Glycine 0 N--CA 1.444 -0.801 0 CA-C-N 114.338 -1.301 . . . . 0.0 110.159 -175.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -89.64 -9.98 47.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.679 0.752 . . . . 0.0 109.172 174.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.86 133.48 39.97 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-O 121.978 0.894 . . . . 0.0 111.193 176.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.489 ' HB2' HD13 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -131.0 131.31 44.26 Favored 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.994 -1.457 . . . . 0.0 110.226 174.335 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.412 ' HD1' ' HB ' ' A' ' 3' ' ' THR . 13.0 m-90 -116.16 118.89 34.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.204 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG12 HE21 ' A' ' 8' ' ' GLN . 2.5 t -86.38 119.54 34.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.933 -178.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' HA2' ' A' ' 30' ' ' GLY . 0.1 OUTLIER -101.68 -32.5 10.29 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 -176.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -142.82 140.02 31.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 -178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.617 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 94.1 t -92.57 135.96 26.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.098 -0.705 . . . . 0.0 109.098 173.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -110.44 87.14 6.03 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 121.026 0.441 . . . . 0.0 110.47 -177.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.617 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 8.6 Cg_exo -71.19 113.32 3.56 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 123.095 2.53 . . . . 0.0 112.301 -176.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.483 HD11 ' HG ' ' A' ' 27' ' ' LEU . 41.6 mt -96.57 159.88 14.69 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 176.523 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -60.13 149.39 32.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 177.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.81 104.08 16.07 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.583 HD23 ' HB3' ' A' ' 56' ' ' SER . 3.6 mm? -74.5 -55.14 6.28 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.628 -0.715 . . . . 0.0 112.174 -172.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -92.81 122.78 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.762 -172.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -85.86 58.9 5.31 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.477 175.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.753 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 71.3 m -128.44 144.49 52.18 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.921 -177.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 2.2 Cg_endo -84.95 5.08 6.45 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 123.193 2.595 . . . . 0.0 112.483 178.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -129.25 7.42 5.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.606 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.753 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 29.7 m170 -130.63 149.97 52.04 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.046 -176.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.716 ' HE1' ' HA ' ' A' ' 94' ' ' ASP . 50.0 p90 -123.39 156.9 34.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.113 178.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.583 ' HB3' HD23 ' A' ' 48' ' ' LEU . 8.8 m -91.2 132.63 35.98 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.987 -0.551 . . . . 0.0 112.106 -174.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 40.3 tpp -152.37 96.42 2.16 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.562 -0.745 . . . . 0.0 109.754 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.501 ' O ' ' HG3' ' A' ' 62' ' ' GLN . 10.2 t70 -106.91 140.93 21.87 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.401 -178.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_endo -59.33 -41.21 60.83 Favored 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 122.993 2.462 . . . . 0.0 113.527 -177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.4 mpp_? -71.63 -39.66 70.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.785 0.326 . . . . 0.0 110.538 -178.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HB3' HD22 ' A' ' 45' ' ' LEU . 18.5 mm-40 -62.13 -44.13 97.3 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.31 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.501 ' HG3' ' O ' ' A' ' 58' ' ' ASP . 55.0 mt-30 -60.71 -49.94 75.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.901 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 55.0 tp -60.14 -43.67 95.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.072 -176.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 34.2 m -63.65 -37.19 86.42 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.222 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.43 -45.39 59.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.145 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.46 -34.65 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 120.988 0.423 . . . . 0.0 110.759 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -58.79 -45.91 88.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.142 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -70.41 -42.44 71.62 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.444 0.64 . . . . 0.0 109.614 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 30.3 ttm -59.56 -48.32 82.1 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.734 -176.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -67.96 -26.52 65.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.776 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 26.7 ttpt -67.65 -39.3 84.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.51 0.672 . . . . 0.0 110.079 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -74.42 -12.74 60.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.787 -178.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 91.74 15.24 55.21 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 121.066 -0.587 . . . . 0.0 112.266 177.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.456 ' CD1' ' HB2' ' A' ' 31' ' ' ARG . 3.6 m-90 -111.28 174.06 6.04 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 120.857 0.361 . . . . 0.0 110.841 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.489 HG21 ' HG2' ' A' ' 32' ' ' ARG . 29.9 m -126.01 169.08 17.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.574 -175.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 14.1 tmm? -84.31 113.41 21.12 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 -179.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.53 ' HA ' ' NH2' ' A' ' 32' ' ' ARG . 79.6 mt -80.24 -31.03 38.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.686 -177.245 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 162.14 -144.15 9.44 Favored Glycine 0 N--CA 1.441 -1.0 0 N-CA-C 111.418 -0.673 . . . . 0.0 111.418 -178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -143.88 177.37 8.59 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.869 0.366 . . . . 0.0 110.229 -178.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.49 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 36.4 p90 -140.91 150.03 42.64 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.896 177.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.643 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 7.9 p80 -158.2 134.34 9.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.427 172.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.614 ' O ' ' HA ' ' A' ' 23' ' ' GLU . 16.7 p -112.59 153.62 27.27 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.048 0.451 . . . . 0.0 111.265 -171.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.475 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 12.7 m170 -103.24 143.73 27.22 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.795 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.35 -55.14 0.79 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 123.111 2.541 . . . . 0.0 113.271 -174.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 111' ' ' ALA . . . -146.46 14.48 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.119 0.485 . . . . 0.0 110.573 -179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.475 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 10.0 p -104.73 157.06 34.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.671 -177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.17 163.34 23.26 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.006 2.471 . . . . 0.0 112.82 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -79.1 95.0 5.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.87 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -146.27 153.06 48.0 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.75 176.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -58.02 126.71 22.47 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.496 2.131 . . . . 0.0 111.454 175.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.512 ' HB3' ' CB ' ' A' ' 94' ' ' ASP . 14.3 t -69.53 151.62 45.78 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 -178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.16 -46.88 87.03 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.975 0.417 . . . . 0.0 110.333 -177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -68.55 -34.27 75.54 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.796 178.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.716 ' HA ' ' HE1' ' A' ' 55' ' ' PHE . 14.3 t70 -61.09 -46.9 88.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.987 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.54 -31.01 72.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 109.985 177.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.499 ' HE ' ' HA ' ' A' ' 96' ' ' ARG . 0.0 OUTLIER -71.47 -39.39 70.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.474 178.573 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 83.8 mt -83.56 -11.91 56.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.908 0.385 . . . . 0.0 111.206 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.73 77.42 3.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.185 0.517 . . . . 0.0 110.832 178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -89.78 -10.25 46.24 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.327 177.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -73.94 144.21 82.12 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.601 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.77 -57.46 0.83 Allowed 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 123.035 2.49 . . . . 0.0 114.837 -168.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.1 m -163.87 56.89 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.459 0.647 . . . . 0.0 110.71 -173.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 mt -82.1 157.45 24.08 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.043 176.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 44.8 m -80.13 104.38 10.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.14 0.495 . . . . 0.0 110.658 -178.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -98.89 118.56 35.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.702 179.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.413 HD11 HD13 ' A' ' 2' ' ' ILE . 10.4 mp -99.2 133.96 42.74 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 120.948 0.404 . . . . 0.0 110.793 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.8 mt -128.92 119.99 50.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.269 -179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.406 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 59.8 mt -104.72 134.71 45.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.039 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 31.6 t -101.3 115.63 30.95 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.896 0.379 . . . . 0.0 110.351 179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.5 21.99 6.62 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.445 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.441 ' HA ' ' HA ' ' A' ' 85' ' ' ALA . . . -55.56 -39.37 70.56 Favored 'General case' 0 N--CA 1.46 0.072 0 CA-C-O 121.421 0.629 . . . . 0.0 110.171 177.373 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -116.0 87.22 18.31 Favored Pre-proline 0 C--N 1.322 -0.63 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 172.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.28 -13.67 33.82 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.002 2.468 . . . . 0.0 112.886 -172.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -72.84 -35.17 67.19 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.835 176.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -143.52 85.81 9.21 Favored Pre-proline 0 N--CA 1.454 -0.254 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.856 -177.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.76 125.17 14.34 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.892 2.395 . . . . 0.0 112.689 -177.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.61 125.01 43.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.098 179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 24.4 p -110.84 133.25 53.52 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.248 -177.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -136.57 162.28 33.55 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 172.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.515 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 23.2 t -126.36 135.41 51.43 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 176.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -124.27 139.5 53.85 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.164 0.507 . . . . 0.0 110.912 -176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 84.0 mt -106.22 110.33 22.54 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 174.427 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.8 116.2 28.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.064 0.459 . . . . 0.0 111.056 -174.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.9 mttm -104.7 -174.22 2.49 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.978 178.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 125' ' ' LYS . 1.5 tmmt? -76.19 -54.67 6.47 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.845 0.831 . . . . 0.0 109.417 172.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -58.35 -40.65 82.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 113.973 -1.467 . . . . 0.0 111.551 -177.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -177.29 -141.32 4.0 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.855 -0.688 . . . . 0.0 111.803 -177.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.1 p -126.85 138.09 55.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 120.893 0.378 . . . . 0.0 110.441 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.436 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 26.3 t70 -110.28 151.86 26.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 178.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -95.94 129.84 43.08 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.079 0.466 . . . . 0.0 111.81 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.531 ' OE1' ' HA ' ' A' ' 1' ' ' MET . 4.7 tp10 -101.06 126.27 47.73 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 175.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -81.23 137.35 35.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.608 -177.616 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 63.6 mt -109.67 129.91 63.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.064 -176.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.53 ' HB ' HG23 ' A' ' 3' ' ' THR . 42.9 mm -109.08 128.74 64.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.625 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 50.8 mt -103.7 134.93 46.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.552 0.215 . . . . 0.0 110.974 178.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 5' ' ' THR . 14.0 mmtp -144.4 163.04 34.95 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.149 178.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -90.74 -26.22 19.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.886 0.851 . . . . 0.0 110.41 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.18 137.95 36.96 Favored 'General case' 0 C--N 1.31 -1.117 0 CA-C-N 114.342 -1.299 . . . . 0.0 112.527 -172.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.482 ' HG ' HG21 ' A' ' 5' ' ' THR . 28.3 mt -101.04 -170.04 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.453 175.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.654 ' HG2' ' CD2' ' A' ' 145' ' ' HIS . 8.6 tp10 67.3 153.91 0.09 Allowed 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 124.057 0.943 . . . . 0.0 113.22 179.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.95 -41.23 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.084 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -177.07 40.03 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.449 178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -96.07 -5.12 41.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.339 177.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 70.06 100.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.807 -178.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.654 ' CD2' ' HG2' ' A' ' 140' ' ' GLU . 5.8 p80 -115.04 58.23 0.71 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.406 -174.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 . . . . . 0 C--O 1.246 0.871 0 CA-C-O 118.751 -0.642 . . . . 0.0 110.138 177.518 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HG3' HD13 ' A' ' 134' ' ' ILE . 50.3 ttp . . . . . 0 N--CA 1.48 1.038 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.416 HG22 ' HG3' ' A' ' 131' ' ' GLU . 15.7 tt -106.7 130.42 58.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.1 m -119.51 124.04 45.46 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 -175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.522 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.5 pp -142.61 164.24 30.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.007 176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.629 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 49.1 p -96.41 170.03 9.51 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 121.016 0.436 . . . . 0.0 111.745 -172.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -56.99 -42.18 79.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.139 175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.52 -48.0 78.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.919 177.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.629 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.7 mm100 -60.23 -43.1 96.33 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.817 0.342 . . . . 0.0 110.484 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 53.5 tpp -60.8 -44.93 96.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.857 176.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -62.12 -39.53 92.85 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.426 178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -63.85 -43.56 95.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.31 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.5 mtm -70.24 -45.55 66.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.769 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 13' ' ' LEU . 17.5 mt -61.5 -42.43 98.78 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.837 -178.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -45.58 93.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.086 0.469 . . . . 0.0 110.471 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -65.54 -35.03 79.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.834 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' HA ' ' HB2' ' A' ' 24' ' ' ALA . . . -68.71 -51.42 41.76 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.804 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.9 mtm180 -64.93 -33.24 75.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.113 0.482 . . . . 0.0 111.008 -178.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -68.05 -27.43 66.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.948 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -84.49 -11.4 56.22 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.962 -0.563 . . . . 0.0 112.107 -176.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD21 HD13 ' A' ' 110' ' ' LEU . 88.4 mt -58.29 148.66 62.38 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-O 120.601 0.239 . . . . 0.0 111.218 -178.412 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -86.69 20.72 25.6 Favored 'Cis proline' 0 C--N 1.348 0.502 0 C-N-CA 123.712 -1.37 . . . . 0.0 113.16 3.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -88.24 -161.79 0.77 Allowed 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 176.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -117.64 171.23 8.16 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 175.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.512 ' H ' ' HB3' ' A' ' 82' ' ' SER . . . -114.86 138.33 50.91 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.963 0.411 . . . . 0.0 111.666 -173.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 82.2 m -113.28 153.45 28.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.626 178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . 174.6 176.54 43.03 Favored Glycine 0 N--CA 1.441 -0.983 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 177.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.43 HD23 ' HB3' ' A' ' 79' ' ' ASN . 96.6 mt -124.0 154.94 39.13 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.435 HD12 HD13 ' A' ' 106' ' ' LEU . 98.0 mt -120.15 126.21 50.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.19 178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.425 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -125.98 157.84 20.04 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.151 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 162.04 -127.77 1.78 Allowed Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.453 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HB2' ' HB2' ' A' ' 38' ' ' TRP . 45.9 mtp180 -119.24 138.2 53.14 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 122.272 0.229 . . . . 0.0 110.473 -176.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.542 ' HG2' HG21 ' A' ' 75' ' ' VAL . 35.4 ptt180 -139.45 123.11 17.44 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.212 0.53 . . . . 0.0 109.991 169.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -100.9 23.29 10.85 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.251 -179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.94 -61.8 4.0 Favored Glycine 0 N--CA 1.445 -0.729 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.757 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -73.18 -43.59 61.2 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.176 -0.512 . . . . 0.0 110.617 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -126.75 159.87 32.48 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.805 0.812 . . . . 0.0 111.728 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.1 mtm-85 -130.89 129.72 42.62 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.039 -1.437 . . . . 0.0 110.861 -177.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.414 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 29.8 m-90 -114.42 126.15 54.65 Favored 'General case' 0 C--N 1.322 -0.599 0 C-N-CA 122.556 0.342 . . . . 0.0 110.71 178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 32.9 t -94.11 98.66 8.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.388 178.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.44 ' HG2' HD22 ' A' ' 139' ' ' LEU . 39.6 mt-10 -96.9 -13.31 22.54 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.433 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HA ' ' HD2' ' A' ' 41' ' ' ARG . 13.6 tpt180 -150.97 129.77 12.4 Favored 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.375 -0.53 . . . . 0.0 111.686 178.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 90.3 t -98.27 136.36 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.781 175.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' HD22 ' A' ' 45' ' ' LEU . 89.5 m-85 -119.03 87.25 33.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.354 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -77.9 100.02 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.618 0 C-N-CA 122.723 2.282 . . . . 0.0 112.468 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HG ' ' HB3' ' A' ' 61' ' ' GLU . 2.7 mm? -88.66 175.19 7.63 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.168 176.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -86.64 145.89 26.54 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.424 179.392 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -83.87 106.61 15.69 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.221 -0.445 . . . . 0.0 109.846 -179.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 57' ' ' MET . 3.4 mm? -69.6 -40.86 76.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.776 -177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -76.46 -38.26 55.68 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.508 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 55.2 tt0 62.77 26.03 15.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.313 -0.858 . . . . 0.0 109.84 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.595 ' HB2' ' HB2' ' A' ' 54' ' ' HIS . 47.4 m -117.04 142.69 30.31 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.293 -177.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -76.83 -20.63 13.2 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 122.845 2.363 . . . . 0.0 112.825 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -93.97 1.6 56.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.467 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.595 ' HB2' ' HB2' ' A' ' 51' ' ' SER . 6.9 m170 -130.9 174.25 10.17 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.687 -175.039 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.458 ' HB3' HD13 ' A' ' 97' ' ' LEU . 80.9 t80 -160.54 103.99 1.4 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.7 m -152.7 137.95 17.46 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.126 0.488 . . . . 0.0 111.059 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.433 ' HA ' HD23 ' A' ' 48' ' ' LEU . 24.3 ptp -129.83 161.9 29.72 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.952 177.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -76.85 144.37 72.57 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -176.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -50.6 -32.79 36.79 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.697 2.265 . . . . 0.0 112.617 176.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.6 mtt85 -70.44 -35.35 73.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.607 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.569 ' HB3' ' HG ' ' A' ' 45' ' ' LEU . 20.6 mm-40 -62.77 -47.19 84.6 Favored 'General case' 0 C--O 1.233 0.196 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 174.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' HG23 ' A' ' 66' ' ' VAL . 24.1 mt-30 -62.41 -49.47 75.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.578 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -58.21 -46.65 85.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.197 -175.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -65.05 -37.92 89.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.151 -178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.23 -44.28 88.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.061 0.458 . . . . 0.0 110.574 177.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 62' ' ' GLN . 60.2 t -67.71 -34.4 67.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 177.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 50.6 mttm -58.85 -45.85 89.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.384 177.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.06 -42.06 89.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.067 0.461 . . . . 0.0 110.183 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.425 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 62.3 mtm -60.45 -47.74 84.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.346 177.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -63.05 -33.81 76.23 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 178.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -66.13 -38.74 88.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 53.3 m-80 -87.85 -19.0 28.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.729 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.26 16.8 39.23 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.288 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 7.3 m0 -87.4 165.22 15.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.996 0.427 . . . . 0.0 110.848 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.542 HG21 ' HG2' ' A' ' 32' ' ' ARG . 27.8 m -116.55 154.66 18.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.075 177.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.7 ttp -83.01 105.56 14.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.003 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.13 -52.27 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.141 -178.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 177.41 -130.63 1.65 Allowed Glycine 0 N--CA 1.441 -1.033 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.308 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.486 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 9.7 p30 -159.77 176.38 12.02 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.704 0.288 . . . . 0.0 110.482 -176.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -126.1 138.64 53.71 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.086 175.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.494 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 7.8 t60 -133.41 135.86 44.88 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.136 -0.938 . . . . 0.0 108.899 -175.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.512 ' HB3' ' H ' ' A' ' 24' ' ' ALA . 23.4 t -113.89 156.26 24.28 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-O 121.067 0.461 . . . . 0.0 111.299 -171.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.462 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 34.3 m170 -130.75 140.15 37.8 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 171.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 33.1 Cg_endo -95.63 -50.62 0.02 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.807 2.338 . . . . 0.0 113.229 177.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -117.75 27.98 8.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.172 0.511 . . . . 0.0 110.492 -177.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.85 154.37 62.17 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.769 178.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -81.41 -174.5 2.21 Favored 'Trans proline' 0 C--O 1.237 0.434 0 C-N-CA 122.656 2.238 . . . . 0.0 112.463 -177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -86.19 71.56 10.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.436 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 40.4 mtm-85 -139.09 144.27 40.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.747 175.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.6 Cg_exo -73.58 130.91 15.4 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.737 2.291 . . . . 0.0 112.122 178.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.531 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . 47.8 t -84.58 163.24 19.44 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.21 -45.58 91.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.22 0.533 . . . . 0.0 110.577 -179.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -73.5 -36.18 65.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.356 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.531 ' HB2' ' HB3' ' A' ' 91' ' ' SER . 19.7 t70 -66.96 -37.24 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.697 -178.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.08 -31.02 69.63 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.172 -179.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -65.0 -16.55 63.56 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.809 -175.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.458 HD13 ' HB3' ' A' ' 55' ' ' PHE . 56.6 mt -79.61 -0.62 34.44 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.814 -176.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.87 96.04 8.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.264 0.554 . . . . 0.0 110.606 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -86.55 -28.09 23.55 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.745 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.665 ' HB3' ' HG ' ' A' ' 103' ' ' LEU . 8.1 t70 -97.23 143.48 26.22 Favored Pre-proline 0 C--N 1.329 -0.309 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.444 ' HD2' ' CG ' ' A' ' 100' ' ' ASP . 41.2 Cg_endo -66.89 -3.76 10.11 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 123.139 2.559 . . . . 0.0 115.098 -173.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 35.9 m -143.26 -54.29 0.39 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.667 178.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 100' ' ' ASP . 16.6 mt 49.01 -167.26 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 122.223 1.011 . . . . 0.0 112.604 -170.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 24.1 m -135.94 89.37 2.48 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 106.965 -1.495 . . . . 0.0 106.965 164.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -98.11 95.54 7.51 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.493 -169.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 120' ' ' SER . 8.6 mp -85.94 125.31 33.27 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.285 -179.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.494 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 71.7 mt -112.84 124.01 69.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.955 0.407 . . . . 0.0 110.04 179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 66.3 mt -104.7 122.07 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.993 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.441 ' HB3' ' HB ' ' A' ' 117' ' ' VAL . 22.4 t -94.81 105.44 17.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.609 178.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.656 HD13 HD21 ' A' ' 20' ' ' LEU . 0.5 OUTLIER -98.1 28.64 3.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.785 -179.394 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.77 -25.03 64.58 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.453 177.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.446 ' HG3' ' H ' ' A' ' 114' ' ' GLN . 4.6 tp10 -124.13 139.28 32.33 Favored Pre-proline 0 N--CA 1.451 -0.388 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 112' ' ' GLU . 3.2 Cg_exo -83.07 -21.87 4.43 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.715 2.277 . . . . 0.0 112.297 178.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 93.4 mt-30 -89.39 -13.8 36.95 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.97 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -155.75 84.61 3.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.703 -174.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.3 119.04 4.08 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 123.054 2.503 . . . . 0.0 111.128 177.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 109' ' ' SER . 63.0 t -84.8 122.44 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 -179.401 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 14.1 p -114.85 119.28 36.04 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 62.6 mttm -128.33 165.94 19.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.195 0.521 . . . . 0.0 110.631 174.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.492 ' HA ' ' HA ' ' A' ' 106' ' ' LEU . 32.6 t -120.03 132.81 55.6 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 175.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.29 130.85 53.31 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.468 0.651 . . . . 0.0 111.575 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 94.1 mt -92.99 109.17 20.62 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.074 -0.966 . . . . 0.0 108.424 170.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 55.5 mt -85.49 111.13 20.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.253 0.549 . . . . 0.0 109.857 -176.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -115.48 -177.25 3.1 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.361 -175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -68.63 -61.88 1.63 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.293 0.568 . . . . 0.0 111.384 -176.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -88.93 11.6 17.67 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.012 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 157.99 -169.86 34.76 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.455 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.7 p -120.66 143.03 34.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 120.899 0.381 . . . . 0.0 110.45 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -126.82 125.26 41.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.845 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -82.07 140.37 33.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.525 0.679 . . . . 0.0 111.785 -175.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.416 ' HG3' HG22 ' A' ' 2' ' ' ILE . 5.5 tp10 -104.67 127.64 52.49 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.441 178.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 19.5 pm0 -69.39 138.56 53.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.025 0.441 . . . . 0.0 111.099 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 58.1 mt -108.14 119.7 58.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.753 -175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.532 HD13 ' HG3' ' A' ' 1' ' ' MET . 1.8 mp -109.82 128.49 65.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.902 177.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.2 mt -90.87 138.07 31.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.249 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 136' ' ' LYS . 27.0 mmmt -123.66 149.67 45.16 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.996 0.427 . . . . 0.0 110.86 176.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.94 -28.9 67.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.774 0.797 . . . . 0.0 111.248 -178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -157.36 158.59 36.23 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 114.431 -1.259 . . . . 0.0 109.713 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.44 HD22 ' HG2' ' A' ' 40' ' ' GLU . 82.9 mt -66.99 140.03 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.068 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -88.87 146.71 24.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 175.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -129.66 169.0 15.62 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.972 0.415 . . . . 0.0 110.939 177.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.3 p-80 -60.14 122.88 15.52 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.87 -174.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -124.03 91.71 3.52 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 167.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.7 p-80 -73.07 113.09 9.72 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -169.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.6 t-80 67.85 138.05 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 114.608 -1.178 . . . . 0.0 112.973 170.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.212 -0.899 . . . . 0.0 108.806 168.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' HA ' ' CD ' ' A' ' 131' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG23 ' HA ' ' A' ' 133' ' ' ILE . 3.2 tt -114.4 130.24 69.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.834 0.349 . . . . 0.0 110.353 176.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.6 m -114.61 127.17 55.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.776 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.544 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 4.0 pp -144.62 165.16 28.82 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 0.0 109.57 174.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.695 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 19.3 p -98.0 164.75 12.22 Favored 'General case' 0 C--N 1.317 -0.843 0 C-N-CA 120.527 -0.469 . . . . 0.0 110.878 -173.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 33.9 ttmt -55.97 -44.07 78.14 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.642 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.68 -38.8 89.16 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.203 -178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.695 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 9.1 mm100 -64.59 -41.25 96.37 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.896 0.379 . . . . 0.0 109.992 177.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.473 ' O ' ' HG ' ' A' ' 13' ' ' LEU . 50.1 tpp -63.56 -47.53 81.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.712 177.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -56.5 -38.39 71.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.029 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -65.43 -44.95 85.71 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.515 178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 72.4 mtm -67.87 -40.23 83.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 110.209 177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 9' ' ' MET . 60.1 mt -61.6 -43.35 99.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.211 178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.11 -45.92 89.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.046 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -65.83 -41.41 91.83 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.432 178.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.525 ' HA ' ' CB ' ' A' ' 24' ' ' ALA . . . -64.14 -52.06 60.87 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.577 -178.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.37 -33.48 75.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.96 0.409 . . . . 0.0 110.895 -176.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -73.69 -32.18 63.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.53 -21.16 56.1 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.126 -0.488 . . . . 0.0 112.157 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.0 mt -53.7 147.57 21.91 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.123 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -88.49 24.37 20.26 Favored 'Cis proline' 0 C--N 1.345 0.384 0 C-N-CA 124.076 -1.219 . . . . 0.0 113.412 5.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -88.45 -167.56 1.92 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' HB2' ' O ' ' A' ' 82' ' ' SER . 0.9 OUTLIER -98.68 166.49 11.3 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 175.321 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' H ' ' HB2' ' A' ' 82' ' ' SER . . . -132.55 113.34 12.96 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.93 0.395 . . . . 0.0 111.064 -178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 7.6 p -115.82 168.59 9.92 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.099 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 177.5 -163.9 32.7 Favored Glycine 0 N--CA 1.442 -0.901 0 N-CA-C 110.558 -1.017 . . . . 0.0 110.558 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -123.08 153.03 40.47 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 117.175 0.487 . . . . 0.0 110.6 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.02 128.17 55.5 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.01 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.83 142.8 14.88 Favored Glycine 0 N--CA 1.443 -0.866 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.921 -179.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.81 -158.07 28.67 Favored Glycine 0 N--CA 1.441 -0.99 0 C-N-CA 120.359 -0.924 . . . . 0.0 111.559 179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.517 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 26.2 mtp180 -115.83 134.92 54.51 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.204 0.526 . . . . 0.0 111.291 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -111.99 121.37 44.82 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 164.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.402 ' HB2' ' HZ3' ' A' ' 38' ' ' TRP . 2.4 t70 -125.14 50.41 1.77 Allowed 'General case' 0 C--N 1.313 -0.999 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.42 -168.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 72.17 96.42 0.07 OUTLIER Glycine 0 N--CA 1.441 -1.02 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.33 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.9 t70 76.69 -40.81 0.38 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.633 0.773 . . . . 0.0 111.972 177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.1 140.0 29.89 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-O 122.051 0.929 . . . . 0.0 110.947 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HE ' ' HB3' ' A' ' 77' ' ' LEU . 51.8 ttt180 -132.38 118.09 18.93 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.624 -1.625 . . . . 0.0 110.42 -176.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.402 ' HZ3' ' HB2' ' A' ' 33' ' ' ASP . 11.2 m-90 -120.01 124.22 45.37 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.891 -0.323 . . . . 0.0 110.934 179.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.544 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 39.5 t -87.94 97.08 6.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -100.12 -10.53 21.37 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.772 -171.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.552 HH11 ' HE3' ' A' ' 74' ' ' TRP . 15.2 ptm180 -149.83 149.43 30.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.229 0.538 . . . . 0.0 110.46 174.572 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.9 t -126.79 137.15 58.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.438 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -120.82 87.08 42.12 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.539 178.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -64.71 98.99 0.31 Allowed 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.312 2.008 . . . . 0.0 110.593 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' HG ' ' H ' ' A' ' 46' ' ' ASN . 17.4 tp -88.06 173.38 8.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.99 0.424 . . . . 0.0 111.173 -171.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.565 ' H ' ' HG ' ' A' ' 45' ' ' LEU . 42.4 t30 -84.5 142.46 30.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.105 -176.38 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -88.57 99.49 12.35 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.031 176.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' MET . 4.2 mm? -62.35 -35.03 77.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.83 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -104.19 114.46 28.71 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -79.56 47.1 0.8 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.516 0.674 . . . . 0.0 110.462 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.419 ' HA ' ' HD3' ' A' ' 52' ' ' PRO . 71.0 m -150.31 143.2 16.29 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.485 -0.78 . . . . 0.0 109.939 -178.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 51' ' ' SER . 3.8 Cg_exo -78.23 1.91 8.52 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 123.015 2.477 . . . . 0.0 112.541 -178.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -92.1 -20.65 21.05 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.879 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.22 147.63 44.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.998 -176.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -126.52 108.92 11.6 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 176.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.2 m -143.34 126.45 16.44 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.112 0.482 . . . . 0.0 111.221 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.416 ' HA ' HD23 ' A' ' 48' ' ' LEU . 67.5 mtm -120.22 134.16 55.32 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 171.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.65 ' OD1' ' HG2' ' A' ' 60' ' ' ARG . 12.9 t70 -76.47 141.0 69.01 Favored Pre-proline 0 C--N 1.322 -0.596 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.803 -171.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 51.4 Cg_exo -56.79 -39.61 90.19 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.124 2.549 . . . . 0.0 113.113 179.508 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.65 ' HG2' ' OD1' ' A' ' 58' ' ' ASP . 9.9 ptp85 -72.96 -36.49 67.16 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.293 -175.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HB3' HD11 ' A' ' 45' ' ' LEU . 25.8 mt-10 -72.32 -37.07 69.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.781 179.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -67.33 -48.57 67.16 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.937 0.399 . . . . 0.0 110.588 176.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.709 ' HG ' ' HE3' ' A' ' 67' ' ' LYS . 40.0 tp -57.74 -45.93 85.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.241 -175.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 16.0 m -63.47 -35.32 80.06 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.319 -178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.56 -42.62 82.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.107 0.479 . . . . 0.0 110.552 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.0 t -66.6 -34.02 67.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.219 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.709 ' HE3' ' HG ' ' A' ' 63' ' ' LEU . 91.0 mttt -58.41 -41.82 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.392 178.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HB3' ' A' ' 71' ' ' LYS . 10.5 t70 -73.82 -39.92 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.5 0.667 . . . . 0.0 110.274 176.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.54 ' HG3' ' HD3' ' A' ' 41' ' ' ARG . 31.4 ttm -58.47 -47.39 84.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.99 -1.005 . . . . 0.0 111.478 -177.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 67' ' ' LYS . 40.1 ptt180 -62.97 -26.73 68.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.499 -0.773 . . . . 0.0 111.207 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 68' ' ' ASP . 34.1 ttpt -63.0 -40.63 98.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.121 0.486 . . . . 0.0 111.32 -176.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -91.28 5.88 47.44 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.546 -177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 76.24 30.43 57.03 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.486 178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.552 ' HE3' HH11 ' A' ' 41' ' ' ARG . 3.0 m0 -102.82 165.1 11.24 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 174.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.33 163.87 36.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.335 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.46 ' HG2' ' H ' ' A' ' 78' ' ' GLY . 60.5 ttp -78.48 119.79 22.27 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.848 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.501 ' HB3' ' HE ' ' A' ' 37' ' ' ARG . 92.0 mt -91.84 3.46 55.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.612 -179.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.46 ' H ' ' HG2' ' A' ' 76' ' ' MET . . . 122.75 -158.13 17.38 Favored Glycine 0 N--CA 1.443 -0.865 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.418 179.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -140.06 165.23 27.91 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.816 0.341 . . . . 0.0 110.313 178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 53.0 p90 -121.01 146.52 46.61 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.828 -177.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' O ' ' HA ' ' A' ' 107' ' ' ILE . 44.9 m170 -119.82 144.55 47.27 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 177.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.672 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 21.0 m -118.0 138.32 52.27 Favored 'General case' 0 C--N 1.314 -0.949 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.033 178.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 61.3 m170 -109.2 140.02 21.58 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 176.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 1.8 Cg_endo -83.55 -55.7 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.398 2.065 . . . . 0.0 113.041 -177.231 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -124.33 27.1 7.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.321 0.582 . . . . 0.0 110.406 -176.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.447 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.8 OUTLIER -132.48 153.75 81.3 Favored Pre-proline 0 C--N 1.32 -0.709 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.463 179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 17.0 Cg_exo -67.77 171.8 11.61 Favored 'Trans proline' 0 C--O 1.239 0.528 0 C-N-CA 123.229 2.619 . . . . 0.0 113.023 -175.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.26 87.75 7.41 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.944 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.404 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 75.7 ttt180 -159.54 142.69 10.42 Favored Pre-proline 0 C--N 1.317 -0.838 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 -179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.616 ' HG2' HG21 ' A' ' 128' ' ' VAL . 30.0 Cg_exo -62.16 112.01 1.42 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.329 2.02 . . . . 0.0 112.111 -179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.42 170.14 17.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.631 178.24 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -56.04 -38.88 71.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.14 0.495 . . . . 0.0 109.872 174.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -63.22 -47.82 80.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.574 177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -62.02 -37.33 84.49 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.1 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -67.46 -37.35 82.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.588 -178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 96' ' ' ARG . 62.8 mtt180 -76.01 -19.03 59.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.969 0.414 . . . . 0.0 111.083 178.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.97 14.73 20.8 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.6 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -92.48 99.63 12.33 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 121.253 0.549 . . . . 0.0 110.38 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -102.34 -10.63 19.31 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.044 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -119.13 82.93 23.2 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.489 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_exo -71.02 -19.62 29.91 Favored 'Trans proline' 0 C--N 1.342 0.233 0 C-N-CA 122.667 2.245 . . . . 0.0 112.654 -179.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.1 t -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.123 0.487 . . . . 0.0 110.473 -178.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 80.6 mt -103.19 -171.95 2.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.141 179.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 7.2 m -121.91 136.09 54.91 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.908 0.385 . . . . 0.0 111.057 -177.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -105.74 109.78 21.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.694 175.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 9.8 mp -85.31 138.6 32.2 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.454 ' HA ' ' O ' ' A' ' 81' ' ' HIS . 64.4 mt -123.42 124.13 69.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-O 120.857 0.36 . . . . 0.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.56 125.47 59.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.549 178.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 33.0 t -101.18 119.86 39.38 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 120.824 0.345 . . . . 0.0 110.507 179.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.495 HD21 ' HB1' ' A' ' 16' ' ' ALA . 3.2 mm? -99.27 13.79 31.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.161 177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.62 -28.29 68.41 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.431 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -120.52 87.9 41.99 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.837 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -60.6 -18.02 52.35 Favored 'Trans proline' 0 N--CA 1.473 0.316 0 C-N-CA 123.164 2.576 . . . . 0.0 114.087 -170.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -87.83 -21.41 25.06 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.608 178.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -144.42 80.27 12.07 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.194 -178.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.26 130.0 21.62 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.434 2.09 . . . . 0.0 111.716 -179.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 47.8 t -87.92 119.91 36.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.469 -0.492 . . . . 0.0 109.884 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 5.2 p -118.15 118.34 31.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.784 -0.643 . . . . 0.0 110.687 178.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -143.22 160.58 40.19 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.76 0.314 . . . . 0.0 110.407 176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.477 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 27.7 t -102.44 129.12 48.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -121.09 130.17 53.64 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.072 0.463 . . . . 0.0 110.877 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.419 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 92.6 mt -94.04 106.86 18.82 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.257 173.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.9 mt -88.13 108.04 18.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -107.14 -169.35 1.53 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.625 -171.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.3 tptm -61.79 -54.15 46.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.765 -1.107 . . . . 0.0 110.1 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -76.27 -67.56 0.67 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.846 -1.07 . . . . 0.0 111.362 -176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -144.56 -142.7 3.92 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.083 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.616 HG21 ' HG2' ' A' ' 90' ' ' PRO . 8.2 p -115.48 142.11 29.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.114 0.483 . . . . 0.0 110.942 178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 34.1 t70 -116.66 125.62 52.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 175.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -88.46 131.39 34.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.075 0.464 . . . . 0.0 111.481 -172.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.477 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 6.0 tp10 -117.52 136.63 53.11 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.821 178.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.64 155.82 18.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.895 0.379 . . . . 0.0 111.101 -178.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.477 ' HA ' HG23 ' A' ' 2' ' ' ILE . 44.4 mt -110.06 130.19 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.391 -174.274 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 2.1 mp -100.81 123.27 53.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 175.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 76.2 mt -94.85 127.54 40.94 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.737 -175.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.44 ' HB2' HG22 ' A' ' 5' ' ' THR . 52.3 mmtt -89.85 142.06 28.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.176 173.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.453 ' CD ' ' H ' ' A' ' 137' ' ' GLU . 1.7 mp0 -67.22 -29.42 69.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.892 0.853 . . . . 0.0 111.386 -176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -152.73 176.68 11.51 Favored 'General case' 0 C--N 1.307 -1.249 0 CA-C-N 114.125 -1.398 . . . . 0.0 108.901 -176.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.607 ' HA ' HG21 ' A' ' 5' ' ' THR . 62.1 mt -65.68 146.13 55.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.976 0.417 . . . . 0.0 110.852 178.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -93.12 152.4 19.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.208 -177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -98.47 142.53 29.97 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.311 -176.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -89.66 -46.1 8.87 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.092 0.472 . . . . 0.0 109.928 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -127.06 157.23 40.17 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.255 174.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -154.89 142.22 19.53 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.778 0.323 . . . . 0.0 111.085 -176.017 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -127.94 -54.32 1.31 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.491 174.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.691 -0.671 . . . . 0.0 110.647 -175.591 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' HG2' ' OD1' ' A' ' 36' ' ' ASP . 26.3 ptt? . . . . . 0 N--CA 1.485 1.284 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 37' ' ' ARG . 12.5 tt -118.99 134.85 61.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 179.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.8 m -125.37 126.31 44.82 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.0 pp -139.25 164.92 28.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.086 -0.339 . . . . 0.0 110.086 176.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.574 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 70.1 p -99.8 172.75 7.05 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.821 0.343 . . . . 0.0 111.204 -174.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -58.53 -42.54 87.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.559 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.421 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.4 tmmt? -59.79 -37.82 80.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.071 -179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.574 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 8.5 mm100 -65.45 -43.37 90.61 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-O 120.903 0.383 . . . . 0.0 110.272 177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 49.0 ttm -58.92 -46.14 88.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.871 176.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.7 mm-40 -62.78 -34.33 77.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.48 177.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -66.88 -45.96 76.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.979 0.418 . . . . 0.0 111.16 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 70.7 mtm -65.01 -41.74 95.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 60.9 mt -61.24 -42.51 98.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.252 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.08 -40.61 98.18 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.255 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -70.4 -39.36 74.53 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.816 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.11 -51.99 66.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.227 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -65.01 -32.06 73.6 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.933 0.397 . . . . 0.0 110.993 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.62 -46.26 84.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.332 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.518 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -86.39 -6.38 58.95 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.904 0.705 . . . . 0.0 112.904 -172.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.0 mt -56.75 142.6 71.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 120.936 0.398 . . . . 0.0 111.608 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -95.12 24.69 24.0 Favored 'Cis proline' 0 N--CA 1.46 -0.495 0 C-N-CA 123.773 -1.344 . . . . 0.0 113.318 1.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.1 m-20 -87.45 -174.71 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 177.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.509 ' CG ' ' HB3' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -90.91 149.22 21.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.126 0.489 . . . . 0.0 110.104 177.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -117.79 127.81 54.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.0 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 8.3 p -117.25 151.78 36.22 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 177.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.443 ' O ' ' HB2' ' A' ' 79' ' ' ASN . . . -169.89 -172.95 36.93 Favored Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 177.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 67.3 mt -124.09 158.06 33.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.996 0.398 . . . . 0.0 110.859 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' CD1' HD13 ' A' ' 106' ' ' LEU . 97.5 mt -121.61 132.55 54.73 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.393 178.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.577 ' HA3' ' SD ' ' A' ' 69' ' ' MET . . . -124.62 154.97 18.19 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.982 -177.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' A' ' 38' ' ' TRP . . . 164.22 -150.22 18.26 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -126.51 143.42 51.2 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 117.339 0.57 . . . . 0.0 111.311 176.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -118.85 131.23 56.07 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.446 175.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.546 ' HB2' ' CZ3' ' A' ' 38' ' ' TRP . 0.7 OUTLIER -102.24 26.7 7.43 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.745 0.783 . . . . 0.0 109.2 -179.577 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 126.84 -107.11 0.87 Allowed Glycine 0 N--CA 1.441 -1.031 0 CA-C-N 114.786 -1.097 . . . . 0.0 110.459 -174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -97.47 -2.08 42.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.167 0.508 . . . . 0.0 110.216 178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.46 ' OD1' ' HG2' ' A' ' 1' ' ' MET . 43.7 m-20 -105.86 136.71 45.0 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 121.853 0.835 . . . . 0.0 110.078 174.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.693 HH22 HD21 ' A' ' 122' ' ' LEU . 5.9 ptt180 -132.17 125.96 32.46 Favored 'General case' 0 C--N 1.301 -1.54 0 CA-C-N 113.854 -1.521 . . . . 0.0 111.242 -171.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' A' ' 33' ' ' ASP . 20.3 m-90 -108.24 120.25 41.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 175.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 23.2 t -92.29 104.58 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.442 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' HA ' HD22 ' A' ' 139' ' ' LEU . 48.8 mt-10 -104.66 -15.1 15.37 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.283 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -134.34 135.54 42.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.752 0.311 . . . . 0.0 110.872 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG23 ' NE2' ' A' ' 8' ' ' GLN . 94.6 t -116.83 137.21 51.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 175.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -118.72 88.35 34.89 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.737 0.303 . . . . 0.0 111.772 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.38 83.38 0.63 Allowed 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.593 2.195 . . . . 0.0 111.025 174.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.507 HD13 ' HG3' ' A' ' 61' ' ' GLU . 93.4 mt -80.41 -176.9 5.92 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.857 -178.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.1 145.76 25.69 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.733 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 37.9 t30 -100.57 116.86 33.49 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 174.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -69.25 -15.11 63.29 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.03 -178.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -99.21 163.83 12.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.207 0.527 . . . . 0.0 111.316 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 49.8 mt-30 -133.53 74.4 1.56 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 172.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.7 m -128.44 167.72 18.11 Favored Pre-proline 0 C--N 1.32 -0.707 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.709 -169.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_endo -94.69 5.93 2.41 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 122.634 2.222 . . . . 0.0 112.475 170.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -144.83 -48.69 0.25 Allowed 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -171.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 28.3 m170 -108.92 134.07 52.07 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.41 0.624 . . . . 0.0 112.078 -170.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.509 ' HB3' ' CG ' ' A' ' 23' ' ' GLU . 38.7 p90 -119.19 148.82 42.67 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.9 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 49.3 m -133.94 138.54 45.55 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.342 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 80.2 mtp -120.14 153.41 36.23 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.495 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' O ' ' HG2' ' A' ' 61' ' ' GLU . 10.2 t70 -97.08 142.15 24.11 Favored Pre-proline 0 C--N 1.323 -0.56 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.279 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.36 -28.36 87.39 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.691 2.261 . . . . 0.0 112.999 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -70.72 -43.53 68.75 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.967 -176.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' HD13 ' A' ' 45' ' ' LEU . 16.2 pt-20 -71.26 -33.72 70.06 Favored 'General case' 0 C--N 1.332 -0.176 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.149 -178.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -60.34 -49.06 79.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.957 174.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 63.5 tp -64.24 -40.19 95.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.809 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 42.5 m -59.0 -36.91 75.71 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.988 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.02 -45.2 74.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.12 -34.84 72.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.196 0.522 . . . . 0.0 110.234 178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -58.2 -46.14 86.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.926 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -67.97 -42.71 80.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.324 0.583 . . . . 0.0 110.161 178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.577 ' SD ' ' HA3' ' A' ' 29' ' ' GLY . 74.9 mtm -65.19 -48.83 72.04 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.416 -0.811 . . . . 0.0 112.167 -176.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -66.64 -24.32 66.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.187 0.517 . . . . 0.0 110.689 -175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.65 -38.92 84.51 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.506 176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -89.81 -20.85 23.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.267 -178.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.87 9.38 13.96 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.43 -0.89 . . . . 0.0 112.952 179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 8.1 m0 -90.18 163.93 14.62 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.095 0.474 . . . . 0.0 110.769 178.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 35.8 m -126.85 157.99 37.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.871 177.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.4 ttp -76.78 105.26 7.74 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.9 mt -72.66 -37.88 67.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.423 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 163.77 -141.99 7.51 Favored Glycine 0 N--CA 1.444 -0.82 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.443 ' HB2' ' O ' ' A' ' 26' ' ' GLY . 33.9 p30 -140.76 174.72 10.24 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.111 0.481 . . . . 0.0 110.607 -179.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -142.81 151.09 40.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.568 177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 33.5 p-80 -156.1 150.14 25.32 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.147 176.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.574 ' HB3' ' HB ' ' A' ' 108' ' ' ILE . 13.7 p -113.18 155.09 25.64 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.709 -174.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.414 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 36.7 m170 -102.15 140.4 21.13 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 173.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 83' ' ' HIS . 24.5 Cg_exo -66.16 -55.09 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.606 2.204 . . . . 0.0 112.851 179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -139.11 63.31 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 0.0 110.34 -179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.414 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -158.28 154.14 23.21 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.875 -179.027 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -66.4 169.99 13.03 Favored 'Trans proline' 0 C--O 1.239 0.561 0 C-N-CA 122.888 2.392 . . . . 0.0 113.146 -177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.525 ' HB2' ' HB2' ' A' ' 109' ' ' SER . . . -84.35 81.47 8.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.934 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.469 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 37.1 ttt180 -161.55 143.41 8.75 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 176.209 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 7.3 Cg_exo -74.13 127.4 11.28 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.545 2.164 . . . . 0.0 112.825 -178.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 54.0 m -93.59 -174.94 3.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.975 175.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.6 -39.52 67.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.458 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.478 ' O ' ' HG ' ' A' ' 97' ' ' LEU . 5.6 mm-40 -64.49 -47.26 79.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.647 178.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -62.15 -35.71 79.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.349 179.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -48.93 70.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.456 -176.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.8 ptt180 -76.63 -18.02 58.84 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 93' ' ' GLU . 73.5 mt -80.96 3.7 22.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.01 0.433 . . . . 0.0 111.018 176.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -111.81 100.88 9.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.079 0.466 . . . . 0.0 110.399 178.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -99.33 -5.01 30.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.894 -0.593 . . . . 0.0 110.676 -177.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -127.81 87.86 54.75 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.232 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.775 ' HB3' ' HA ' ' A' ' 124' ' ' LYS . 25.9 Cg_exo -64.06 -4.97 8.45 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 123.23 2.62 . . . . 0.0 113.163 -177.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.4 t -94.16 -4.97 48.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.849 -177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 54.1 mt -86.51 170.8 11.59 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.11 0.481 . . . . 0.0 111.204 178.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 11.7 m -100.49 121.34 41.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.974 177.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -114.59 122.61 47.05 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.699 0.285 . . . . 0.0 110.346 -179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.43 HD13 ' CD1' ' A' ' 28' ' ' LEU . 11.0 mp -109.56 137.64 47.09 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.095 0.474 . . . . 0.0 110.848 176.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.26 121.35 65.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.781 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.574 ' HB ' ' HB3' ' A' ' 82' ' ' SER . 37.9 mm -104.46 130.84 54.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.042 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . 0.525 ' HB2' ' HB2' ' A' ' 88' ' ' ALA . 47.2 t -110.57 120.88 43.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.962 0.41 . . . . 0.0 110.939 -179.162 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 110' ' ' LEU . 4.3 mm? -102.07 11.77 37.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.308 175.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.35 83.78 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.674 179.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -126.62 85.26 60.85 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -74.44 -14.11 22.63 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.752 2.301 . . . . 0.0 114.732 -172.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.51 -33.22 75.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.36 0.6 . . . . 0.0 109.85 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -141.7 81.17 15.19 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.09 128.45 27.78 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.886 2.391 . . . . 0.0 112.245 -174.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . . 60.5 t -92.5 120.58 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.966 0.412 . . . . 0.0 110.378 -178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . . . . . . . . . 17.8 p -116.88 120.57 38.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.68 173.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' HE3' ' CZ ' ' A' ' 121' ' ' PHE . 48.6 mtmt -137.32 161.98 34.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 110.244 176.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.441 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 25.9 t -114.99 135.88 53.74 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.533 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.432 ' CZ ' ' HE3' ' A' ' 119' ' ' LYS . 97.7 m-85 -129.49 131.3 46.63 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.155 0.502 . . . . 0.0 110.47 -179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.799 ' HB3' ' HE2' ' A' ' 124' ' ' LYS . 85.1 mt -88.85 106.95 18.72 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 175.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 59.9 mt -86.78 108.59 18.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.65 -178.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.799 ' HE2' ' HB3' ' A' ' 122' ' ' LEU . 74.4 mmtt -103.83 -174.87 2.64 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.146 -176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.3 tttp -67.62 -54.42 19.88 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.577 0.703 . . . . 0.0 109.729 178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -71.27 -53.28 14.83 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.489 -1.232 . . . . 0.0 111.719 -176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . -155.89 -157.42 8.27 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.606 -176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 62.0 t -119.87 135.94 58.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.593 0.235 . . . . 0.0 110.547 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -112.45 134.72 53.83 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 177.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.425 ' H ' ' HG2' ' A' ' 130' ' ' GLU . 9.7 pt-20 -95.88 128.99 43.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.612 0.72 . . . . 0.0 112.101 -173.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.441 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 7.7 tp10 -101.15 151.77 21.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.628 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -100.76 140.04 35.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 50.8 mt -106.06 128.22 60.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.169 0.509 . . . . 0.0 111.736 -174.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.71 139.26 22.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.625 175.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' A' ' 135' ' ' LEU . 32.9 mt -107.19 138.2 43.82 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.024 0.44 . . . . 0.0 111.789 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -121.26 148.38 44.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.369 172.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 11.4 mp0 -73.96 -27.35 60.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.29 0.567 . . . . 0.0 111.647 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -143.04 166.98 23.17 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.17 -177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.482 HD23 HG21 ' A' ' 5' ' ' THR . 95.7 mt -74.06 -175.38 2.18 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.0 0.428 . . . . 0.0 111.715 -175.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -99.32 -2.92 35.2 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 121.339 0.59 . . . . 0.0 110.804 -174.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.428 ' HD1' ' CD ' ' A' ' 40' ' ' GLU . 55.1 m80 -115.49 165.69 12.72 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.219 177.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -87.92 94.06 9.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -174.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 55.9 m80 -96.54 162.5 13.44 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 167.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 62.35 38.49 13.05 Favored 'General case' 0 C--N 1.329 -0.299 0 O-C-N 123.052 0.22 . . . . 0.0 110.71 -176.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -76.21 78.64 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.778 0.799 . . . . 0.0 110.042 178.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 . . . . . 0 C--O 1.248 1.012 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.896 -176.172 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.488 ' HB2' HD13 ' A' ' 134' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.715 0.293 . . . . 0.0 110.55 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.7 tt -113.01 133.18 59.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.426 ' HB ' ' CD1' ' A' ' 38' ' ' TRP . 31.7 m -120.27 134.19 55.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.099 0.476 . . . . 0.0 111.485 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' HB3' ' HB ' ' A' ' 39' ' ' VAL . 3.1 pp -143.37 164.51 30.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.326 174.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.666 ' OG1' ' HG2' ' A' ' 8' ' ' GLN . 47.4 p -89.95 162.6 15.33 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.182 -175.024 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -55.81 -40.48 72.8 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.767 0.794 . . . . 0.0 110.355 176.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 9.2 tmtt? -56.76 -44.21 81.52 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.385 -1.28 . . . . 0.0 110.905 175.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.666 ' HG2' ' OG1' ' A' ' 5' ' ' THR . 62.7 mm-40 -65.53 -34.81 79.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.831 0.348 . . . . 0.0 110.674 177.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.1 tpp -62.46 -44.36 96.59 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 174.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -60.14 -34.97 74.27 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.073 175.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' A' ' 7' ' ' LYS . 5.6 mm-40 -64.37 -47.44 79.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.9 mtm -66.65 -43.95 83.23 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.615 178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 58.4 mt -61.33 -41.16 96.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.481 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.22 -45.38 93.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.886 0.374 . . . . 0.0 110.85 178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.42 -39.73 92.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.373 178.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.608 ' O ' ' HG ' ' A' ' 20' ' ' LEU . . . -63.17 -52.71 61.31 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.392 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -63.13 -32.48 73.87 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.683 0.277 . . . . 0.0 111.314 -177.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.98 -40.4 78.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.225 178.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 24' ' ' ALA . . . -84.56 -10.92 56.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.398 -174.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.608 ' HG ' ' O ' ' A' ' 16' ' ' ALA . 74.3 mt -56.07 145.27 55.81 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.679 0.276 . . . . 0.0 111.092 178.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' O ' ' HG3' ' A' ' 84' ' ' PRO . 87.5 Cg_endo -96.66 34.3 8.99 Favored 'Cis proline' 0 N--CA 1.458 -0.577 0 C-N-CA 123.955 -1.269 . . . . 0.0 113.466 1.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -106.22 -173.04 2.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 179.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 0.6 OUTLIER -66.34 147.9 52.63 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.313 0.578 . . . . 0.0 111.641 178.729 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 19' ' ' ALA . . . -132.75 99.36 4.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.756 179.015 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 80' ' ' PHE . 25.8 p -116.53 162.45 17.58 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.022 0.439 . . . . 0.0 111.357 -175.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -170.32 -163.28 24.1 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.281 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.4 mt -124.13 155.16 38.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 117.177 0.489 . . . . 0.0 110.476 -177.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.6 mt -117.36 128.3 54.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.425 179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -122.43 141.11 13.91 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 112.137 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 171.37 -145.25 8.71 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.919 -0.658 . . . . 0.0 111.626 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 31' ' ' ARG . 35.2 mtm180 -123.05 135.2 54.33 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.8 0.333 . . . . 0.0 110.987 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 12.1 ptt180 -112.89 121.25 44.12 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 166.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -109.2 34.76 3.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.777 0.799 . . . . 0.0 110.094 -171.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 130.34 -98.28 0.41 Allowed Glycine 0 N--CA 1.441 -0.971 0 N-CA-C 110.532 -1.027 . . . . 0.0 110.532 -175.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -105.18 -26.45 12.06 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 173.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.42 134.66 36.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.8 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.5 mtm-85 -129.47 119.09 23.17 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.389 -175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' THR . 16.8 m-90 -112.09 120.57 42.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.628 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.539 ' HB ' ' HB3' ' A' ' 4' ' ' LEU . 61.3 t -89.74 106.79 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.397 178.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -93.22 -19.22 21.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -151.81 116.35 5.08 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-O 121.039 0.447 . . . . 0.0 111.672 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.46 ' O ' ' HD3' ' A' ' 44' ' ' PRO . 74.3 t -85.31 138.43 19.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.187 174.673 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 46.3 m-85 -111.4 87.75 8.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 42' ' ' VAL . 16.3 Cg_exo -66.98 93.06 0.33 Allowed 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.397 2.065 . . . . 0.0 111.174 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.473 HD11 ' HB3' ' A' ' 61' ' ' GLU . 24.2 tp -83.19 161.62 21.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.49 -175.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -72.62 139.08 47.16 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.092 0.472 . . . . 0.0 110.794 -178.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.462 ' HB3' ' HB2' ' A' ' 50' ' ' GLN . 3.5 m120 -85.8 113.95 22.36 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.242 179.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.14 -68.41 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.78 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -85.16 -44.72 12.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.376 179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.462 ' HB2' ' HB3' ' A' ' 47' ' ' ASN . 37.6 tt0 56.89 48.28 16.22 Favored 'General case' 0 C--N 1.334 -0.092 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.434 -176.198 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 23' ' ' GLU . 13.9 m -73.59 154.39 89.6 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.194 -179.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -71.08 -15.65 32.19 Favored 'Trans proline' 0 CA--C 1.528 0.216 0 C-N-CA 122.336 2.024 . . . . 0.0 112.496 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -108.31 -58.57 1.97 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.083 0.468 . . . . 0.0 110.745 -178.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -112.1 171.94 7.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.001 -170.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.7 p90 -138.93 157.52 45.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.978 -176.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 55.7 m -155.81 142.18 18.51 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.836 0.35 . . . . 0.0 110.548 177.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -116.78 149.32 40.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.688 177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.47 ' OD1' ' HB3' ' A' ' 60' ' ' ARG . 11.1 t70 -85.01 139.58 36.95 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 58' ' ' ASP . 15.2 Cg_exo -70.88 -30.28 17.32 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.894 2.396 . . . . 0.0 112.589 -178.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -75.32 -42.52 54.26 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.948 178.485 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.473 ' HB3' HD11 ' A' ' 45' ' ' LEU . 80.4 mm-40 -62.17 -43.68 98.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.845 174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 66' ' ' VAL . 28.7 tt0 -62.29 -44.75 95.8 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.219 178.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 59.7 tp -56.66 -44.01 80.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.054 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.9 m -60.64 -38.59 85.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.978 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.4 -45.2 56.12 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.204 -179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 62' ' ' GLN . 83.6 t -63.57 -36.35 76.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.045 -179.139 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.432 ' HE3' ' HB2' ' A' ' 67' ' ' LYS . 32.3 ttmt -62.28 -42.15 99.09 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.634 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -70.94 -38.67 72.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.493 0.663 . . . . 0.0 109.904 178.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 32.3 ttm -57.85 -49.09 77.87 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.897 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttt180 -72.47 -28.13 62.73 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.757 -179.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -64.77 -34.79 79.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.722 179.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -85.18 -19.69 31.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.409 178.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 106.96 41.22 1.72 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.845 177.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -126.45 168.72 13.83 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 175.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 m -129.85 163.19 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.28 177.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 54.0 ttm -73.07 123.85 24.37 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.46 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.528 HD12 HG22 ' A' ' 39' ' ' VAL . 78.8 mt -99.26 -12.72 20.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.536 ' HA2' ' HB3' ' A' ' 103' ' ' LEU . . . 143.36 -153.29 24.73 Favored Glycine 0 N--CA 1.445 -0.714 0 C-N-CA 120.926 -0.654 . . . . 0.0 111.929 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -144.02 172.42 12.9 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.999 0.428 . . . . 0.0 110.319 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.465 ' O ' ' HA ' ' A' ' 25' ' ' CYS . 52.2 p90 -137.92 155.29 49.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.526 -179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.454 ' HA ' ' O ' ' A' ' 24' ' ' ALA . 48.7 p-80 -156.97 136.88 12.53 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.79 175.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 28.8 t -121.63 141.06 51.5 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.099 -170.232 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' HB3' ' OG1' ' A' ' 86' ' ' THR . 33.3 m170 -116.25 142.09 28.83 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.147 177.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.457 ' HG3' ' O ' ' A' ' 21' ' ' PRO . 82.3 Cg_endo -84.41 -55.98 0.03 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.404 2.07 . . . . 0.0 113.539 -177.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -103.99 39.11 1.69 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.976 0.417 . . . . 0.0 110.828 -175.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.469 ' OG1' ' HB3' ' A' ' 83' ' ' HIS . 0.0 OUTLIER -152.75 154.41 31.38 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 -177.277 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 86' ' ' THR . 15.5 Cg_exo -69.29 169.27 18.69 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.135 2.557 . . . . 0.0 112.612 179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -97.06 73.48 2.53 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.57 -177.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 90' ' ' PRO . 33.1 mtt180 -154.12 149.9 21.49 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.031 173.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 37.8 Cg_exo -61.95 129.93 29.15 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.984 2.456 . . . . 0.0 112.782 -177.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 43.2 m -86.99 -177.21 6.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.196 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.48 -43.77 96.31 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.083 0.468 . . . . 0.0 111.335 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -32.31 63.29 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.613 178.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -58.71 -40.86 84.9 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.507 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.98 -35.34 66.64 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 115.615 -0.721 . . . . 0.0 111.026 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -73.95 -18.84 60.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.533 -178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 98.1 mt -98.45 -1.22 41.89 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.855 0.36 . . . . 0.0 111.009 -177.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.406 ' HA ' ' OH ' ' A' ' 105' ' ' TYR . . . -81.51 88.14 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.19 0.519 . . . . 0.0 111.26 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -105.34 -2.58 23.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.432 -178.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -69.79 142.6 91.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -72.7 -55.56 0.1 Allowed 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.234 1.956 . . . . 0.0 112.862 -177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.7 m -149.57 23.97 0.89 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.287 0.565 . . . . 0.0 109.857 178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.536 ' HB3' ' HA2' ' A' ' 78' ' ' GLY . 84.3 mt -84.31 161.19 20.53 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.162 -177.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.507 ' HA ' HD23 ' A' ' 122' ' ' LEU . 19.2 m -87.49 128.45 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.666 -173.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.406 ' OH ' ' HA ' ' A' ' 98' ' ' ALA . 79.0 m-85 -97.02 104.9 16.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.587 171.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 11.2 mp -88.99 120.94 30.85 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.022 0.439 . . . . 0.0 110.0 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 54.2 mt -117.57 123.46 71.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.844 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 117' ' ' VAL . 63.5 mt -109.47 133.37 54.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.469 -179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 25.6 t -101.1 112.45 24.92 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.74 19.33 8.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 110.004 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.98 -28.04 69.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.746 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -123.98 89.04 52.03 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.388 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.4 -11.24 10.43 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 123.263 2.642 . . . . 0.0 114.531 -173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -92.11 -20.54 21.16 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.146 0.498 . . . . 0.0 110.447 177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -139.77 78.42 25.54 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.311 -178.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -68.99 108.63 1.97 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.764 1.642 . . . . 0.0 111.336 178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.523 ' O ' ' HA ' ' A' ' 108' ' ' ILE . 47.5 t -78.21 119.64 27.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.803 -176.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' CYS . . . . . 0.52 ' SG ' HG13 ' A' ' 133' ' ' ILE . 35.1 t -116.09 118.6 33.32 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.777 177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -128.35 160.85 30.92 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 176.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.513 ' HB3' ' HB3' ' A' ' 131' ' ' GLU . 13.4 t -118.17 128.69 54.95 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -178.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -124.33 132.4 53.55 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 121.123 0.487 . . . . 0.0 110.996 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 129' ' ' ASP . 66.9 mt -102.31 107.4 18.41 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 173.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.4 mt -87.82 108.54 18.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.446 0.641 . . . . 0.0 110.443 -176.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -107.38 -173.98 2.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.555 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.53 -53.29 8.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 176.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.74 -44.05 63.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.649 179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 176.8 -155.19 17.88 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 111.692 -0.563 . . . . 0.0 111.692 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.3 p -114.42 132.05 64.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.044 0.449 . . . . 0.0 110.536 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 122' ' ' LEU . 7.4 t0 -95.69 132.55 40.76 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.39 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -102.4 124.31 47.74 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.121 0.486 . . . . 0.0 110.889 -175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 8.8 tp10 -129.7 153.3 48.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.855 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -106.38 165.65 11.11 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.028 0.442 . . . . 0.0 111.262 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.52 HG13 ' SG ' ' A' ' 118' ' ' CYS . 50.6 mm -101.98 123.36 55.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.61 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ILE . . . . . 0.488 HD13 ' HB2' ' A' ' 1' ' ' MET . 1.9 mp -102.61 136.08 36.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.517 176.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.439 ' HA ' ' O ' ' A' ' 4' ' ' LEU . 96.1 mt -101.98 149.01 24.67 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.194 0.521 . . . . 0.0 111.622 -175.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -132.57 146.73 52.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.561 -0.745 . . . . 0.0 109.338 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -77.42 -25.22 50.52 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.096 0.474 . . . . 0.0 111.695 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.549 ' OE2' ' HB3' ' A' ' 142' ' ' HIS . 27.5 tt0 -140.56 165.74 26.63 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.481 -177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.531 HD23 HG21 ' A' ' 5' ' ' THR . 90.1 mt -68.09 176.36 2.71 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.218 0.532 . . . . 0.0 111.479 -175.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 141' ' ' HIS . 0.7 OUTLIER -79.45 169.21 18.39 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.073 -1.084 . . . . 0.0 108.073 175.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.433 ' H ' ' CD ' ' A' ' 140' ' ' GLU . 52.5 m80 68.85 10.91 8.16 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 120.808 0.337 . . . . 0.0 110.701 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.549 ' HB3' ' OE2' ' A' ' 138' ' ' GLU . 2.6 m80 -148.04 -166.74 2.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.566 -175.036 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -171.9 -41.67 0.02 OUTLIER 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.436 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 176.89 129.04 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.164 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.8 t60 70.67 155.38 0.14 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.737 0.648 . . . . 0.0 110.68 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 9.8 m80 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.293 -0.861 . . . . 0.0 111.162 176.611 . . . . . . . . 0 0 . 1 stop_ save_