data_2mpe_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 2mpe _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.302 -0.629 . . . . 2.18 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 1.32 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 1.2 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 4.03 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.98 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.58 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 2.01 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.95 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 1.09 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.42 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 4.21 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 1.11 110.275 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 1.07 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.82 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 1.1 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.66 110.931 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.11 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 2.27 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 1.22 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 2.02 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.92 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.83 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 1.16 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 1.08 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 1.12 110.755 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 1.23 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 1.15 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.845 -175.273 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.925 0.393 . . . . 1.22 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.63 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 1.1 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 3.23 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.41 HD11 HD21 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 1.14 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 1.12 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 1.32 110.443 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.944 0.402 . . . . 1.72 111.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.41 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.45 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.88 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 1.09 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 1.07 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 1.08 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 1.2 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.37 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.22 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 1.38 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 1.13 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 4.71 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 1.27 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 9' ' ' THR . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 3.05 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 1.42 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.46 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 1.17 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 1.24 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.499 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 4.43 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.68 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.81 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 1.06 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.451 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 1.2 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 1.12 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 1.13 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 1.2 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.52 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.94 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 2.22 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 2.1 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 1.11 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 1.12 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.3 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 1.19 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.67 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.55 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.95 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.97 110.706 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 3.1 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 1.38 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.426 HE22 HG12 ' A' ' 121' ' ' VAL . 4.1 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.6 110.835 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 1.44 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 1.43 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.54 108.497 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 68' ' ' LEU . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 1.17 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 1.31 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 1.15 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.41 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 1.12 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.75 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 120.472 0.177 . . . . 2.18 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 1.32 110.126 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 1.2 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 4.03 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.98 110.658 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.58 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 2.01 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.95 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 1.09 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.42 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 4.21 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 1.11 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 1.07 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.82 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 1.1 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.66 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 1.11 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 2.27 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 1.22 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 2.02 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.92 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.83 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 1.16 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 1.08 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 1.12 110.857 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 1.23 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 1.15 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 1.0 112.636 -175.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 1.22 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.63 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 1.1 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 3.23 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 HD22 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 1.14 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 1.12 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 1.32 110.706 -178.458 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.095 0.474 . . . . 1.72 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.41 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.45 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.88 109.645 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 1.09 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 1.08 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.478 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 1.2 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.37 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.22 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 1.38 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 1.13 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 4.71 111.79 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 1.27 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 3.05 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 1.42 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.46 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 1.17 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 1.24 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 4.43 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.68 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.81 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 1.06 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.2 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 1.12 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 1.13 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 1.2 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.52 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.94 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 2.22 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 2.1 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 1.11 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 1.12 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.48 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.3 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 1.19 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.67 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.55 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 1.14 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.95 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.97 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 3.1 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 1.38 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.6 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 1.44 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 1.43 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.54 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.406 HG11 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 1.17 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 1.31 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 1.15 110.96 -177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.41 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 1.12 111.263 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.75 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.785 0.326 . . . . 2.18 110.7 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 1.32 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 1.2 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 4.03 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.98 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.58 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 2.01 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.95 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 1.09 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.42 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 4.21 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 1.11 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 1.07 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.82 111.001 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.1 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.66 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.11 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 2.27 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 1.22 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 2.02 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.92 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.83 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 1.16 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 1.08 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 1.12 110.119 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 1.23 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 1.15 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 1.0 113.101 -171.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.091 0.472 . . . . 1.22 111.24 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.63 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 1.1 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 3.23 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 1.14 109.157 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 1.12 110.371 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 1.32 109.989 175.601 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 1.72 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.41 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.45 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.88 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 1.09 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 1.07 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 1.08 110.687 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 1.2 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.37 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.22 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 1.38 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 1.13 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 4.71 112.082 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 1.27 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.445 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 3.05 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.42 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 1.17 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 1.24 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 4.43 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.68 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.81 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.06 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 1.2 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 1.12 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 1.13 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 1.2 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.52 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.94 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 2.22 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.549 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 2.1 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 1.11 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 1.12 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.48 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.3 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 1.19 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.67 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.55 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 1.14 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.95 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.97 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 3.1 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 1.38 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.6 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 1.44 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 1.43 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.54 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 1.17 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 1.31 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 1.15 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.41 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 1.12 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.75 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 1.32 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.2 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 4.03 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.616 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.98 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.58 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 2.01 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.95 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 1.09 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.42 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 4.21 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 1.11 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 1.07 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.82 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 1.1 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.66 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 1.11 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 2.27 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 1.22 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 2.02 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.92 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.83 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 1.16 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 1.08 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 1.12 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 1.23 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 1.15 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 1.0 112.927 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.887 0.375 . . . . 1.22 110.608 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' ' HB3' ' A' ' 69' ' ' ALA . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.63 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 1.1 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 3.23 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 1.14 109.22 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 1.12 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 1.32 111.139 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.637 0.236 . . . . 1.72 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.41 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.45 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.88 111.874 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 1.09 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HB3' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 1.07 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 1.08 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 1.2 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.37 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.22 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 1.38 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 1.13 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 4.71 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 1.27 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.616 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 3.05 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 1.42 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.46 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.17 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 1.24 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 4.43 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.68 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.81 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 1.06 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.2 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 1.12 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.13 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 1.2 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.52 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.94 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 2.22 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 2.1 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.11 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.12 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.48 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.3 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 1.19 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.67 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.55 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 1.14 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.95 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.97 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.415 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 3.1 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 1.38 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.6 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 1.44 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 1.43 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.54 109.567 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 1.17 110.872 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 1.31 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 1.15 110.837 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.41 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 1.12 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.75 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t70 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.889 0.376 . . . . 2.18 110.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 1.32 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 1.2 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 4.03 111.359 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.98 111.476 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.58 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 2.01 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.95 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 1.09 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.42 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 4.21 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.11 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 1.07 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.82 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 1.1 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.66 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 1.11 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 2.27 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 1.22 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 2.02 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.92 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.83 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 1.16 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 1.08 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 1.12 110.811 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 1.23 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 1.15 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 1.0 113.672 -170.351 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.756 0.313 . . . . 1.22 111.101 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.63 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 1.1 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 3.23 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 1.14 109.125 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 1.12 110.517 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 176.779 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.941 0.401 . . . . 1.72 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.41 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.45 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.88 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.416 HD21 HD13 ' A' ' 120' ' ' LEU . 7.3 t30 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 1.09 109.558 -171.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 1.07 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 1.08 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.59 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 1.2 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.37 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.419 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.22 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 1.38 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 1.13 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 4.71 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 1.27 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 3.05 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 1.42 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.46 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 1.17 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 1.24 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 4.43 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.68 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.81 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 1.06 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 1.2 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 1.12 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 1.13 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 1.2 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.52 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.94 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 2.22 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 2.1 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 1.11 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 1.12 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.48 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.3 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 1.19 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.67 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.55 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 1.14 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.95 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.97 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 3.1 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 1.38 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 4.1 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.6 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 1.44 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 1.43 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.416 HD13 HD21 ' A' ' 67' ' ' ASN . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.54 109.314 -175.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 1.17 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 1.31 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 1.15 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.59 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.419 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.41 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 71' ' ' THR . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 1.12 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.75 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 1.32 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 1.2 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 4.03 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.98 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.58 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 2.01 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 1.09 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.42 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 4.21 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 1.11 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 1.07 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.82 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 1.1 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.66 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.11 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 2.27 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 1.22 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 2.02 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.92 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.83 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 1.16 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 1.08 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 1.12 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 1.23 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 1.15 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 1.0 112.387 -176.179 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.0 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.909 0.385 . . . . 1.22 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.63 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 1.1 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 3.23 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HG23 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 1.14 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 1.12 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 1.32 110.342 178.735 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.372 0.606 . . . . 1.72 110.067 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.41 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.45 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.88 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HA ' HG13 ' A' ' 121' ' ' VAL . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 1.09 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 1.07 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 1.08 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 1.2 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.37 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 1.38 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 1.13 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 4.71 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 1.27 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 3.05 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 1.42 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.46 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 1.17 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.24 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 4.43 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.68 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.81 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 1.06 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 1.2 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 1.12 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 1.13 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 1.2 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.52 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.94 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 2.22 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.604 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 2.1 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 1.11 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 1.12 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.48 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.3 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 1.19 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.67 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.55 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 1.14 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.95 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.97 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 3.1 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 1.38 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.6 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 1.44 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 1.43 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.54 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 1.17 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 1.31 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 1.15 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.41 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 1.12 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.75 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.56 0.219 . . . . 2.18 110.469 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 1.32 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 1.2 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 4.03 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.647 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.98 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.58 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 2.01 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.95 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 1.09 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.42 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 4.21 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 1.11 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 1.07 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.82 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.1 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.66 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 1.11 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 2.27 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 2.02 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.92 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.83 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 1.16 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 1.08 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 1.12 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 1.23 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 1.15 109.013 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 1.0 113.683 -171.568 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.743 0.306 . . . . 1.22 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.63 110.087 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 1.1 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 3.23 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 1.14 108.968 174.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 1.12 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 1.32 110.392 -178.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.212 0.529 . . . . 1.72 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.41 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.45 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.88 110.434 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 1.09 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 1.07 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 1.08 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.542 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 1.2 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.37 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.22 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 1.38 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.667 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 1.13 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 4.71 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 1.27 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.647 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 3.05 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 1.42 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.46 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 1.17 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 1.24 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 4.43 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.501 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.68 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.81 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 1.06 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.2 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 1.12 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 1.13 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 1.2 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.52 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.94 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 2.22 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 2.1 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 1.11 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 1.12 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.48 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.3 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 1.19 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.67 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.55 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 1.14 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.95 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.97 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 3.1 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 1.38 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 3.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.6 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 1.44 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 1.43 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.54 108.936 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 1.17 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 1.31 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 1.15 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.542 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.41 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 1.12 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.75 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.04 0.448 . . . . 2.18 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 HG23 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.32 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 1.2 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 4.03 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.98 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.58 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 2.01 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.95 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 1.09 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.42 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 4.21 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 1.11 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 1.07 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.82 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 1.1 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.66 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.11 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 2.27 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 1.22 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 2.02 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.92 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.83 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 1.16 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 1.08 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 1.12 110.815 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 1.23 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 1.15 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 1.0 112.575 -177.084 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.33 -0.248 . . . . 1.22 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.63 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 1.1 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 3.23 110.935 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 1.14 108.789 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 1.12 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 1.32 109.293 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.218 0.532 . . . . 1.72 110.702 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.41 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.45 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.88 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HA ' HG13 ' A' ' 121' ' ' VAL . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 1.09 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 1.08 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.601 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 1.2 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.37 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.43 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.22 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 1.38 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 1.13 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 4.71 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 1.27 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 3.05 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 1.42 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.46 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 1.17 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 1.24 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 4.43 109.626 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.68 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.81 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 1.06 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 1.2 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 1.12 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 1.13 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 1.2 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.52 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.94 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 2.22 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 2.1 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 1.11 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 1.12 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.48 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.3 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 1.19 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.67 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.55 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 1.14 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.95 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.97 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 3.1 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 1.38 111.26 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.6 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 1.44 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 1.43 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.54 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 1.17 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 1.31 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 1.15 111.118 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.601 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.43 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.41 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 1.12 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.75 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.736 0.303 . . . . 2.18 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 1.32 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 1.2 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 4.03 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.98 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.58 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 2.01 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.95 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 1.09 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.42 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 4.21 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 1.11 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 1.07 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.82 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.663 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 1.1 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.66 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 1.11 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 2.27 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 1.22 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 2.02 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.92 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.83 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 1.16 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 1.08 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.41 HG21 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 1.12 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 1.23 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 1.15 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 1.0 113.03 -176.131 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.364 -0.236 . . . . 1.22 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.63 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 1.1 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 3.23 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 1.14 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 1.12 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 1.32 110.475 178.651 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.539 0.685 . . . . 1.72 110.153 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.41 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.45 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.88 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 1.07 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 1.08 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 1.2 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.37 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.22 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 1.38 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 1.13 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 4.71 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 1.27 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 3.05 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 1.42 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.46 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 1.17 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 1.24 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 4.43 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.68 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.81 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 1.06 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 1.2 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 1.12 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 1.13 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 1.2 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.52 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.94 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 2.22 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 2.1 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 1.11 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 1.12 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.48 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.3 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 1.19 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.67 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.55 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 1.14 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.95 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.97 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 3.1 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 1.38 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.6 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 1.44 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 1.43 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.54 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 1.17 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 1.31 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 1.15 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.41 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 1.12 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.75 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.809 0.338 . . . . 2.18 110.402 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 1.32 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 1.2 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 4.03 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.98 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 2.01 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.95 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 1.09 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.42 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 4.21 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 1.11 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 1.07 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.82 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 1.1 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.66 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.11 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 2.27 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 1.22 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 2.02 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.92 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.83 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 1.16 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 1.08 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.457 HG21 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 1.12 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 1.23 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 1.15 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 1.0 112.213 -179.169 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.899 0.38 . . . . 1.22 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.63 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 1.1 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 3.23 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 HG21 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 1.14 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 1.12 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 1.32 110.749 179.62 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 121.154 0.502 . . . . 1.72 111.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.41 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.45 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.88 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 1.09 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 1.07 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 1.08 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 1.2 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.37 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.22 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 1.38 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 1.13 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.454 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 4.71 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 1.27 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 3.05 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 1.42 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.46 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 1.17 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 1.24 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 4.43 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.68 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.81 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 1.06 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 1.2 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 1.12 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 1.13 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 1.2 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.52 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.94 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 2.22 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 2.1 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 1.11 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 1.12 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.48 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.3 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 1.19 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.67 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.55 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 1.14 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.95 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.97 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 3.1 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 1.38 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.6 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 1.43 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.54 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 1.17 111.143 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 1.31 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 1.15 111.348 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.41 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 1.12 111.153 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.75 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.933 0.397 . . . . 2.18 110.452 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 1.32 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 1.2 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 4.03 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.98 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.58 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 2.01 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.95 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 1.09 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.42 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 4.21 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 1.11 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 1.07 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.82 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 1.1 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.66 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 1.11 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 2.27 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 1.22 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 2.02 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.92 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.83 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 1.16 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 1.08 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 1.12 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 1.23 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 1.15 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 1.0 113.178 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.754 0.311 . . . . 1.22 110.666 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.63 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 1.1 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 3.23 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 1.14 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 1.12 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 1.32 109.996 175.849 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.261 0.553 . . . . 1.72 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.41 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.45 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.88 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.433 ' HA ' HG11 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 1.09 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 1.07 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 1.08 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.439 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 1.2 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.544 ' HE1' ' HH ' ' A' ' 92' ' ' TYR . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.37 111.015 -175.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.22 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 1.38 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 1.13 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 4.71 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 1.27 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 3.05 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 1.42 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.46 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 1.17 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.24 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 4.43 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.68 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.81 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.544 ' HH ' ' HE1' ' A' ' 72' ' ' TRP . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 1.06 109.803 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 1.2 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 1.12 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 1.13 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 1.2 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.52 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.94 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 2.22 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 2.1 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 1.11 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 1.12 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.48 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.708 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.3 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 1.19 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.67 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.55 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 1.14 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.95 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.97 110.88 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 3.1 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 1.38 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.6 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 1.44 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.54 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 1.17 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 1.31 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 1.15 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.439 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.41 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 1.12 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.511 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 2.18 109.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.32 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 1.2 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 4.03 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.98 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.58 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 2.01 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.95 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 1.09 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.42 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 4.21 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 1.11 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.07 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.82 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.1 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.66 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 1.11 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.416 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 2.27 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 1.22 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 2.02 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.92 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.83 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 1.16 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 1.08 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 1.12 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 1.15 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 1.0 113.338 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.99 0.424 . . . . 1.22 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.63 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 1.1 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 3.23 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 1.14 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 1.12 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 1.32 110.401 -179.394 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.072 0.463 . . . . 1.72 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.41 110.155 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.45 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.88 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 1.09 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 1.07 110.808 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 1.08 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.403 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 1.2 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.37 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.5 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.22 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 1.38 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 1.13 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 4.71 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 1.27 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 3.05 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 1.42 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.46 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 1.17 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 1.24 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 4.43 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.68 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.81 110.562 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 1.06 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 1.2 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 1.12 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 1.13 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 1.2 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.52 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.94 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 2.22 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 2.1 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 1.12 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.3 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 1.19 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.67 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.55 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 1.14 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.95 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.97 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 3.1 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 1.38 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.6 109.729 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 1.44 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 1.43 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.54 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 1.17 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 1.31 108.811 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 1.15 109.841 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.403 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . 0.5 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.41 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 1.12 111.181 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.75 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.954 0.406 . . . . 2.18 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 1.32 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 1.2 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 4.03 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.98 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.58 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 2.01 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.95 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.4 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 1.09 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.42 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 4.21 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 1.11 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.07 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.82 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.1 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.66 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 1.11 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 2.27 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 1.22 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 2.02 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.92 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.83 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 1.16 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 1.08 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 1.12 111.006 -175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 1.23 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 1.15 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 1.0 112.527 -175.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.034 0.445 . . . . 1.22 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.63 109.496 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 1.1 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 3.23 110.18 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 1.14 109.69 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 1.12 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 1.32 111.215 -176.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.097 0.475 . . . . 1.72 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.41 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.45 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.88 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 1.09 109.619 -170.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 1.07 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 1.08 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.582 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 1.2 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.37 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.22 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 1.38 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 1.13 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 4.71 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 1.27 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' MET . . . . . 0.467 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 3.05 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.42 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.46 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 1.17 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 1.24 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 4.43 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.68 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.81 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 1.06 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 1.2 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 1.12 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 1.13 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 1.2 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.52 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.94 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 2.22 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 2.1 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 1.11 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 1.12 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.48 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.3 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 1.19 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.67 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.55 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 1.14 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.95 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.97 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 3.1 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 1.38 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.6 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 1.44 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 1.43 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.54 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 1.17 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 1.31 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 1.15 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.582 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.41 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 1.12 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.75 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 1.32 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 1.2 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 4.03 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.58 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 2.01 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.95 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 1.09 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.42 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 4.21 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 1.11 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.82 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 1.1 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.66 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 1.11 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 2.27 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 1.22 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 2.02 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.92 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.83 109.413 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 1.16 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 1.08 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 1.12 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 1.23 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 1.15 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 1.0 113.351 -172.672 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.925 -0.398 . . . . 1.22 109.925 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.63 110.538 -173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 1.1 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 3.23 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 1.14 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 1.12 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 1.32 110.46 178.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 1.72 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.41 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.45 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.88 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 1.09 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 1.08 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.564 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 1.2 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.37 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.22 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 1.38 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 1.13 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.532 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 4.71 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 1.27 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 3.05 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 1.42 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.532 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.46 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 1.17 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 1.24 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 4.43 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.68 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.81 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 1.06 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 1.12 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 1.13 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 1.2 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.52 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.94 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 2.22 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 2.1 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 1.11 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 1.12 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.48 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.3 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 1.19 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.67 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.55 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 1.14 109.331 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.95 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.97 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 3.1 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 1.38 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.6 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 1.44 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 1.43 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.54 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 1.17 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 1.31 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 1.15 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.564 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.41 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 1.12 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.75 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.93 -0.396 . . . . 2.18 109.93 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 1.32 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 1.2 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 4.03 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.98 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.58 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.538 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 2.01 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.95 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 1.09 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.42 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 4.21 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 1.11 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 1.07 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.82 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.1 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.66 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 1.11 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 2.27 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 1.22 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 2.02 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.92 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.83 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 1.16 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 1.08 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 1.12 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 1.15 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.538 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 1.0 112.755 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.774 0.321 . . . . 1.22 110.984 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 38' ' ' VAL . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.63 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 1.1 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 3.23 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 1.14 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 1.12 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 1.32 111.078 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.987 0.422 . . . . 1.72 110.744 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.41 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.45 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.88 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 1.09 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 1.07 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 1.08 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 1.2 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.37 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.22 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 1.38 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 1.13 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.55 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 4.71 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 1.27 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 3.05 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 1.42 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.46 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 1.17 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 1.24 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 4.43 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.573 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.81 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 1.2 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 1.12 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 1.13 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 1.2 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.52 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.94 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 2.22 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 2.1 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 1.11 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 1.12 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.48 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.3 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 1.19 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.67 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.55 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 1.14 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.95 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.97 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 3.1 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 1.38 110.545 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.6 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 1.44 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.54 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 1.17 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 1.31 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 1.15 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.41 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 1.12 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . 0.496 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.75 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.906 -0.478 . . . . 10.15 111.906 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 80.63 6.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 9.01 111.17 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.0 167.66 10.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.08 -0.509 . . . . 9.6 109.734 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.38 67.35 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.34 -0.457 . . . . 5.84 112.738 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptm -127.52 23.17 6.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.553 0.692 . . . . 6.47 109.409 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -100.95 142.93 25.59 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.353 -0.84 . . . . 2.98 110.372 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.33 -12.92 37.65 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.528 2.152 . . . . 1.66 111.366 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.51 -34.44 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 2.18 109.302 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.411 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 1.32 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 1.2 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 4.03 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.403 ' CZ ' ' HA ' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.98 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.58 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 2.01 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.95 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.45 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 1.09 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.45 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.42 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 4.21 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 1.11 110.275 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 1.07 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.82 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 1.1 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.66 110.931 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 1.11 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 2.27 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 1.22 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 2.02 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.92 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.83 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 1.16 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 1.08 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 1.12 110.755 -176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 1.23 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 1.15 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.41 174.48 55.06 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 1.0 112.845 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -70.07 114.26 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.792 -0.447 . . . . 2.85 109.792 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.82 47.54 1.02 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.687 . . . . 2.74 112.069 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 163.69 25.09 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.785 -0.722 . . . . 2.98 112.098 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -63.8 115.82 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.748 0.309 . . . . 6.29 110.452 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.61 -3.7 23.16 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.775 -0.726 . . . . 3.24 111.677 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -114.69 96.18 43.13 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.936 -0.394 . . . . 5.67 109.936 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.19 147.13 41.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.676 2.25 . . . . 2.21 112.631 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m -84.04 133.37 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.935 -0.575 . . . . 1.22 110.512 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.63 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 1.1 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.447 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 3.23 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.41 HD11 HD21 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 1.14 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 1.12 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' ' 66' ' ' LEU . . . -130.36 81.43 68.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 1.32 110.443 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -88.4 -177.0 1.67 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.578 2.185 . . . . 1.72 111.347 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 59.92 74.23 0.45 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.281 0.563 . . . . 6.35 110.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.23 93.66 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.952 -0.567 . . . . 4.29 109.509 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.34 -60.66 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 6.04 111.356 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -108.19 22.18 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.901 0.381 . . . . 7.15 111.263 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 58.9 t -124.09 121.49 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.337 -0.392 . . . . 5.56 111.005 -177.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -134.74 129.66 35.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.657 -0.497 . . . . 6.7 109.657 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.32 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.692 -0.766 . . . . 2.29 111.785 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -103.77 144.53 31.35 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.661 -0.496 . . . . 2.45 109.661 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.66 33.69 1.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.944 0.402 . . . . 1.72 111.491 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.41 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.45 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.88 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.447 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 1.09 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 1.07 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 1.08 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.404 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 1.2 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.37 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.22 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 1.38 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.417 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 1.13 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.526 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 4.71 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 1.27 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.411 ' SD ' HG23 ' A' ' 9' ' ' THR . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 3.05 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 1.42 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.46 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 1.17 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 1.24 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.499 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 4.43 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.68 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.499 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.81 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 1.06 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.451 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 1.2 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 1.12 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 1.13 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 1.2 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.52 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.433 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.94 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 2.22 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 2.1 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 1.11 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 1.12 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.48 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.3 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 1.19 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.67 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.55 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 1.14 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.95 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.97 110.706 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 3.1 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 1.38 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.426 HE22 HG12 ' A' ' 121' ' ' VAL . 4.1 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.6 110.835 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 1.44 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 1.43 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.54 108.497 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG11 ' HA ' ' A' ' 68' ' ' LEU . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 1.17 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 1.31 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 1.15 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.404 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.41 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 1.12 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.75 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.485 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.618 -0.593 . . . . 10.15 111.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 28.07 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.969 0.414 . . . . 9.01 110.32 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt 57.81 37.9 27.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.352 -0.84 . . . . 9.6 110.61 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 94.02 0.18 Allowed Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.832 -0.699 . . . . 5.84 112.066 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptp -135.72 -0.83 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.67 0.271 . . . . 6.47 110.749 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 24.1 t -62.06 -51.56 73.89 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.509 -0.314 . . . . 2.98 111.178 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 6' ' ' SER . 36.2 Cg_endo -65.88 -17.86 56.58 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.717 1.611 . . . . 1.66 111.968 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.17 -41.1 50.83 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.032 -0.531 . . . . 2.18 110.727 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 1.32 110.126 176.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 1.2 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 4.03 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.98 110.658 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.58 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 2.01 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.462 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.95 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.408 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 1.09 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.42 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 4.21 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.412 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 1.11 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 1.07 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.82 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 1.1 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.455 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.66 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 1.11 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 2.27 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 1.22 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 2.02 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.92 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.83 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 1.16 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 1.08 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 1.12 110.857 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 1.23 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 1.15 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.91 163.94 53.59 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 1.0 112.636 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.23 114.11 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.679 -0.489 . . . . 2.85 109.679 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.86 -30.62 14.33 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.758 -0.734 . . . . 2.74 112.124 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.45 -162.55 29.32 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 111.359 -0.696 . . . . 2.98 111.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.52 120.22 9.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 6.29 110.612 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.79 67.59 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.903 -0.665 . . . . 3.24 112.443 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -137.18 85.59 21.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 5.67 109.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.95 170.73 14.98 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.892 2.394 . . . . 2.21 112.115 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m -65.44 129.7 40.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 1.22 109.418 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.63 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 1.1 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 3.23 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.43 HD12 HD22 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 1.14 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 1.12 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -118.41 105.82 45.69 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 1.32 110.706 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.44 108.02 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.484 2.123 . . . . 1.72 110.912 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -71.05 113.21 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 6.35 110.925 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.3 -31.24 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 4.29 109.541 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.66 118.91 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.759 -1.11 . . . . 6.04 109.802 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -132.19 13.1 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 7.15 111.048 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.92 -35.53 2.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.349 0.595 . . . . 5.56 109.694 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -117.64 -178.43 3.47 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.493 -0.776 . . . . 6.7 109.959 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 -164.44 41.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 2.29 112.761 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -103.51 154.89 18.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.136 -0.32 . . . . 2.45 110.136 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.04 39.76 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.095 0.474 . . . . 1.72 111.369 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.41 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.45 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.88 109.645 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 HD22 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 1.09 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 1.07 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 1.08 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.478 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 1.2 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.37 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.22 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 1.38 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.495 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 1.13 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 4.71 111.79 -176.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 1.27 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 3.05 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 1.42 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.46 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 1.17 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 1.24 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 4.43 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.68 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.81 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 1.06 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 1.2 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 1.12 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 1.13 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 1.2 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.52 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.94 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 2.22 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.528 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 2.1 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 1.11 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 1.12 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.48 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.3 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 1.19 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.67 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.55 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 1.14 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.95 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.97 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 3.1 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 1.38 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.6 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 1.44 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 1.43 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.54 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.406 HG11 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 1.17 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 1.31 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 1.15 110.96 -177.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.478 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.41 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 1.12 111.263 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.75 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.929 -0.468 . . . . 10.15 111.929 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.63 31.46 20.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.269 0.557 . . . . 9.01 110.99 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.8 ttm -112.58 -30.35 7.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.613 -0.721 . . . . 9.6 109.994 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.53 -52.64 24.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.723 -0.751 . . . . 5.84 111.424 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -114.5 144.94 42.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.394 -0.595 . . . . 6.47 109.394 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -146.11 73.71 13.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.861 0.362 . . . . 2.98 110.205 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.75 -23.06 69.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.496 2.131 . . . . 1.66 112.262 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 -68.85 -43.76 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 2.18 110.7 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 1.32 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 1.2 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 4.03 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.98 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.58 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 2.01 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.95 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 1.09 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.42 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 4.21 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 1.11 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 1.07 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.82 111.001 -178.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 1.1 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.66 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 1.11 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 2.27 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 1.22 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 2.02 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.92 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.83 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 1.16 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 1.08 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 1.12 110.119 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 1.23 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.6 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 1.15 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 161.3 32.66 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 1.0 113.101 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -87.27 116.17 25.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.039 -0.356 . . . . 2.85 110.039 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.53 122.71 2.01 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.27 -0.732 . . . . 2.74 111.27 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 -103.68 1.22 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.003 -0.618 . . . . 2.98 112.374 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -151.93 145.57 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.606 -0.516 . . . . 6.29 109.606 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.39 38.33 29.17 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.613 -0.803 . . . . 3.24 112.172 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -138.56 90.82 12.64 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 5.67 110.36 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.47 119.0 5.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.756 2.304 . . . . 2.21 112.136 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.6 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m -66.19 129.58 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 1.22 111.24 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.63 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 1.1 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.536 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 3.23 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 1.14 109.157 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.493 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 1.12 110.371 -176.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.95 100.51 9.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 1.32 109.989 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.493 ' HD3' ' O ' ' A' ' 52' ' ' VAL . 3.1 Cg_exo -75.93 55.44 4.43 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.147 2.565 . . . . 1.72 112.526 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.16 98.39 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 6.35 109.899 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.91 176.52 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.471 . . . . 4.29 110.321 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 60.74 50.26 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.225 0.536 . . . . 6.04 110.591 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -119.51 66.47 0.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.34 0.59 . . . . 7.15 109.751 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.46 67.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 5.56 109.666 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -123.25 85.06 2.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.545 -0.752 . . . . 6.7 109.335 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.73 -90.99 1.2 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.536 -1.026 . . . . 2.29 110.536 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -104.25 130.49 52.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.201 -0.666 . . . . 2.45 109.201 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.42 36.43 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.038 0.447 . . . . 1.72 111.085 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.41 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.45 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.88 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.536 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 1.09 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 1.07 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 1.08 110.687 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 1.2 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.37 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.22 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 1.38 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 1.13 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 4.71 112.082 -178.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 1.27 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.445 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 3.05 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 1.42 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.46 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 1.17 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 1.24 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 4.43 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.68 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.81 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 1.06 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.408 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 1.2 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 1.12 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 1.13 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.479 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 1.2 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.52 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.94 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 2.22 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.549 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 2.1 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 1.11 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 1.12 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.48 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.3 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 1.19 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.67 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.55 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 1.14 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.95 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.97 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 3.1 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 1.38 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.555 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.6 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 1.44 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 1.43 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.54 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 1.17 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 1.31 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 1.15 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.41 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 1.12 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.75 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.577 -0.609 . . . . 10.15 111.577 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 9.01 110.569 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -99.69 43.98 1.04 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 9.6 110.316 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.04 19.23 12.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 5.84 112.41 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -126.71 103.96 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.809 0.338 . . . . 6.47 110.644 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -127.08 76.88 75.88 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.019 0.437 . . . . 2.98 110.148 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -85.34 117.02 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.605 2.203 . . . . 1.66 112.248 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.36 -35.18 68.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 1.32 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 1.2 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 4.03 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.616 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.98 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.58 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 2.01 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.439 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.95 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.438 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 1.09 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.42 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 4.21 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 1.11 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 1.07 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.82 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 1.1 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.66 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 1.11 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 2.27 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 1.22 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 2.02 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.92 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.83 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 1.16 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 1.08 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 1.12 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 1.23 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 1.15 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.44 170.87 54.4 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 1.0 112.927 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.556 ' CZ ' ' HA2' ' A' ' 42' ' ' GLY . 86.6 t80 -86.21 113.9 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.94 0.4 . . . . 2.85 110.495 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.1 -29.58 10.22 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.669 -0.777 . . . . 2.74 111.561 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.556 ' HA2' ' CZ ' ' A' ' 40' ' ' TYR . . . 97.65 -41.42 2.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.886 -0.673 . . . . 2.98 112.889 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -105.16 72.42 0.99 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.99 0.424 . . . . 6.29 110.037 -174.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.05 22.16 57.89 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.742 -0.742 . . . . 3.24 111.969 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.12 86.96 40.75 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.667 0.27 . . . . 5.67 110.322 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.71 153.84 13.43 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.801 2.334 . . . . 2.21 112.077 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m -75.25 131.73 40.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.791 -0.64 . . . . 1.22 110.608 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.414 ' OE1' ' HB3' ' A' ' 69' ' ' ALA . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.63 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 1.1 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 3.23 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 1.14 109.22 175.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 1.12 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.415 ' HB3' ' HB3' ' A' ' 114' ' ' ARG . . . -110.2 107.63 58.66 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 1.32 111.139 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.27 142.85 99.16 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.581 2.187 . . . . 1.72 111.565 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -114.34 129.92 56.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.367 -0.378 . . . . 6.35 110.46 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' O ' ' HB2' ' A' ' 57' ' ' GLU . . . -85.03 142.71 29.39 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 4.29 108.565 170.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 3.3 mp0 70.02 141.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.879 0.737 . . . . 6.04 110.28 -173.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -81.03 -28.02 35.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 7.15 111.396 -173.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -116.16 132.84 64.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 5.56 111.009 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -139.89 -171.51 3.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.991 -0.744 . . . . 6.7 108.991 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.02 -44.99 90.42 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.3 -0.952 . . . . 2.29 111.102 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -102.1 134.59 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.663 -0.495 . . . . 2.45 109.663 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.09 -8.46 51.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 1.72 111.637 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.41 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.45 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.88 111.874 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 1.09 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.414 ' HB3' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 1.07 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 1.08 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.424 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 1.2 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.37 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.22 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 1.38 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 1.13 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 4.71 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 1.27 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.616 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 3.05 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 1.42 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.46 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 1.17 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 1.24 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 4.43 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.427 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.68 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.81 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 1.06 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 1.2 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 1.12 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 1.13 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 1.2 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.52 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.94 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 2.22 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 2.1 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.11 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 1.12 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.48 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.3 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 1.19 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.67 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.55 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 1.14 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.95 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.97 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.415 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 3.1 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 1.38 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.6 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 1.44 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 1.43 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.54 109.567 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 1.17 110.872 -176.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 1.31 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 1.15 110.837 -177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.41 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 1.12 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.75 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.768 -0.533 . . . . 10.15 111.768 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.47 -41.66 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 9.01 110.899 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.566 ' HB3' ' SD ' ' A' ' 5' ' ' MET . 23.9 mmt -111.11 -84.09 0.57 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 9.6 110.651 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 45.45 35.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 5.84 112.725 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.566 ' SD ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -112.14 19.55 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.186 0.517 . . . . 6.47 110.291 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m 58.29 71.26 1.05 Allowed Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 115.16 -0.927 . . . . 2.98 111.061 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.0 -22.29 73.7 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.56 2.173 . . . . 1.66 111.706 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.72 -39.37 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.508 -0.769 . . . . 2.18 110.111 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 1.32 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 1.2 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 4.03 111.359 -176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.98 111.476 -178.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.58 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 2.01 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.95 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.441 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 1.09 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.441 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.42 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 4.21 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 1.11 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 1.07 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.82 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 1.1 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.66 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 1.11 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 2.27 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 1.22 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 2.02 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.92 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.83 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 1.16 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 1.08 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 1.12 110.811 -178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 1.23 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 1.15 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.8 173.16 24.36 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 1.0 113.672 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -75.34 127.12 32.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.406 . . . . 2.85 110.214 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.04 -113.45 2.82 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.939 -0.648 . . . . 2.74 111.817 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.63 -66.82 1.14 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.756 -0.735 . . . . 2.98 112.388 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -144.85 143.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.701 -0.294 . . . . 6.29 110.997 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.42 95.37 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.753 -0.658 . . . . 3.24 113.231 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -136.1 76.09 52.3 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 122.661 -0.317 . . . . 5.67 110.198 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.87 146.22 87.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.018 2.479 . . . . 2.21 112.01 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.572 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m -82.07 130.06 34.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 1.22 111.101 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.63 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 1.1 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 3.23 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 1.14 109.125 177.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 1.12 110.517 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.99 95.01 36.51 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 1.32 109.558 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.97 159.87 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.428 2.085 . . . . 1.72 112.467 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.6 m80 68.41 24.54 7.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.448 -0.796 . . . . 6.35 110.803 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.36 123.34 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.079 -0.51 . . . . 4.29 110.166 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.92 123.42 21.98 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.61 -0.515 . . . . 6.04 109.61 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -123.77 43.36 2.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 7.15 110.902 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.3 t -81.99 -50.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 5.56 110.601 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.68 154.29 45.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 6.7 110.049 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.6 -115.01 5.1 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.984 -0.846 . . . . 2.29 110.984 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -104.66 123.1 47.0 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.077 -0.712 . . . . 2.45 109.077 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.47 20.27 11.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.941 0.401 . . . . 1.72 111.207 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.41 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.45 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.88 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.416 HD21 HD13 ' A' ' 120' ' ' LEU . 7.3 t30 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 1.09 109.558 -171.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 1.07 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 1.08 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.59 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 1.2 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.37 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.419 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.22 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 1.38 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 1.13 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.519 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 4.71 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 1.27 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 3.05 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 1.42 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.46 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 1.17 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 1.24 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.476 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 4.43 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.42 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.68 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.81 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 1.06 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 1.2 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 1.12 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 1.13 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 1.2 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.52 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.94 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 2.22 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 2.1 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 1.11 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 1.12 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.48 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.3 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 1.19 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.67 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.55 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 1.14 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.95 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.97 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 3.1 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 1.38 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.476 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 4.1 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.6 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 1.44 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 1.43 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.416 HD13 HD21 ' A' ' 67' ' ' ASN . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.54 109.314 -175.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 1.17 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 1.31 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 1.15 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.59 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.419 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.41 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 71' ' ' THR . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 1.12 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.419 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.75 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.771 -0.532 . . . . 10.15 111.771 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.24 43.28 20.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.157 0.503 . . . . 9.01 111.282 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.9 mmm -79.16 -30.39 43.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 9.6 110.113 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 47.92 3.75 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.235 -0.746 . . . . 5.84 111.235 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.5 ttm -145.23 122.19 11.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.397 . . . . 6.47 109.979 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -135.63 127.42 17.53 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.726 0.298 . . . . 2.98 110.281 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -69.29 -14.59 37.83 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.551 2.167 . . . . 1.66 112.284 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -29.98 58.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 1.32 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 1.2 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 4.03 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.98 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.58 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 2.01 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.95 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 1.09 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.42 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 4.21 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 1.11 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 1.07 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.82 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 1.1 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.66 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 1.11 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 2.27 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 1.22 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 2.02 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.92 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.83 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 1.16 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 1.08 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.413 HG23 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 1.12 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 1.23 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 1.15 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.61 169.55 49.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 1.0 112.387 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -73.36 113.63 10.66 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.609 -0.515 . . . . 2.85 109.609 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.35 52.58 0.64 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.887 -0.673 . . . . 2.74 112.096 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.71 171.73 45.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.921 -0.657 . . . . 2.98 111.761 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -72.7 108.41 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.245 0.545 . . . . 6.29 109.92 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.72 -15.78 5.93 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.173 -0.922 . . . . 3.24 110.835 -173.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -124.88 79.03 64.87 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.601 -0.518 . . . . 5.67 109.601 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.24 147.34 29.34 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.076 2.517 . . . . 2.21 112.073 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 12.0 m -60.61 132.93 55.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 1.22 110.748 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.63 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 1.1 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 3.23 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.413 HG12 HG23 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 1.14 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 1.12 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 93.26 20.68 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 1.32 110.342 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.94 70.66 6.67 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.531 2.154 . . . . 1.72 111.865 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -137.87 57.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.911 -0.586 . . . . 6.35 110.532 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.81 -1.91 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.975 -0.557 . . . . 4.29 110.197 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.44 -34.32 66.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.026 -0.988 . . . . 6.04 111.078 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -145.92 88.6 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 7.15 110.393 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.21 79.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.374 0.607 . . . . 5.56 110.542 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -93.74 -6.04 47.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 6.7 111.238 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.51 -94.89 1.02 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.732 -0.947 . . . . 2.29 110.732 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -103.71 124.11 48.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.235 -0.654 . . . . 2.45 109.235 172.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.35 49.33 1.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.372 0.606 . . . . 1.72 110.067 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.41 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.45 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.88 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.435 ' HA ' HG13 ' A' ' 121' ' ' VAL . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 1.09 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 1.07 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 1.08 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 1.2 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.37 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.22 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 1.38 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.572 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 1.13 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.447 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 4.71 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 1.27 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 3.05 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 1.42 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.46 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 1.17 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 1.24 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 4.43 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.68 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.445 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.81 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 1.06 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 1.2 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 1.12 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 1.13 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 1.2 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.52 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.94 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 2.22 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.604 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 2.1 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 1.11 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 1.12 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.48 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.604 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.3 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 1.19 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.67 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.55 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 1.14 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.95 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.97 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 3.1 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 1.38 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.6 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 1.44 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 1.43 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.54 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.435 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 1.17 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 1.31 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 1.15 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.49 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.41 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 1.12 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.75 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.445 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.935 -0.466 . . . . 10.15 111.935 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.54 -18.98 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.634 0.235 . . . . 9.01 111.634 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 69.77 -53.92 0.61 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.534 0.733 . . . . 9.6 111.661 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 -141.95 7.7 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.378 -0.689 . . . . 5.84 111.378 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mmt 55.88 38.0 29.51 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.844 0.354 . . . . 6.47 111.474 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -100.62 98.26 7.89 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.223 -0.658 . . . . 2.98 109.223 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.83 -35.47 78.43 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.593 2.195 . . . . 1.66 112.819 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 -74.0 -42.75 59.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.991 -0.284 . . . . 2.18 110.469 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 1.32 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 1.2 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 4.03 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.647 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.98 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.58 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.43 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 2.01 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.42 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.95 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 1.09 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.432 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.42 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 4.21 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 1.11 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 1.07 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.82 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.556 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 1.1 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.66 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 1.11 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 2.27 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 1.22 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 2.02 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.92 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.83 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 1.16 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 1.08 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 1.12 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 1.23 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 1.15 109.013 173.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.67 170.66 40.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 1.0 113.683 -171.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -86.35 142.36 28.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.292 -0.454 . . . . 2.85 110.481 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.36 -169.82 12.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.853 -0.689 . . . . 2.74 111.658 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -15.44 78.34 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.956 -0.64 . . . . 2.98 112.272 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -91.81 176.65 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.741 0.305 . . . . 6.29 110.296 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.84 58.16 3.49 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.65 -0.58 . . . . 3.24 111.65 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -98.31 120.51 59.38 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.109 -0.33 . . . . 5.67 110.109 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.64 140.32 51.29 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.78 2.32 . . . . 2.21 112.121 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -95.05 122.61 37.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.325 -0.398 . . . . 1.22 110.324 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.63 110.087 -175.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 1.1 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 3.23 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 1.14 108.968 174.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 1.12 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -128.3 91.76 43.23 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 1.32 110.392 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -73.79 59.25 4.19 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.905 2.403 . . . . 1.72 111.251 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -125.44 63.42 1.18 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.838 -0.619 . . . . 6.35 109.877 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.51 59.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 4.29 111.048 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -76.12 73.83 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.545 . . . . 6.04 110.975 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -143.28 100.82 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.234 -0.439 . . . . 7.15 110.001 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.17 152.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 5.56 111.215 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 62.14 38.88 13.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.6 -0.727 . . . . 6.7 111.014 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.06 -157.71 7.5 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.55 -0.62 . . . . 2.29 111.55 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.81 127.35 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.329 . . . . 2.45 110.602 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.08 59.92 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.017 -0.538 . . . . 1.72 111.055 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.513 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.41 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.45 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.88 110.434 -175.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 1.09 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 1.07 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 1.08 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.542 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 1.2 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.37 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.22 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 1.38 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.667 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 1.13 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 4.71 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 1.27 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.647 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 3.05 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 1.42 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.442 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.46 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 1.17 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 1.24 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 4.43 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.501 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.68 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.81 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 1.06 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.2 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 1.12 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 1.13 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.505 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 1.2 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.52 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.94 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 2.22 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 2.1 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 1.11 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 1.12 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.48 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.3 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 1.19 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.67 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.55 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 1.14 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.95 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.97 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 3.1 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 1.38 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 3.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.6 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 1.44 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 1.43 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.54 108.936 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG12 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 1.17 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 1.31 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 1.15 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.542 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.41 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 1.12 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.75 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.317 -0.313 . . . . 10.15 112.317 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.96 132.35 35.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.633 0.254 . . . . 9.01 110.626 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -157.72 -172.99 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.304 -0.407 . . . . 9.6 110.19 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.61 -82.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.882 -0.675 . . . . 5.84 111.597 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.9 mtm -109.85 112.7 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.123 -0.695 . . . . 6.47 109.123 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -127.51 75.94 77.16 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.885 0.374 . . . . 2.98 111.478 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.0 -35.4 76.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.649 2.233 . . . . 1.66 112.05 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.93 -46.74 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 2.18 110.261 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.431 HG21 HG23 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 1.32 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 1.2 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 4.03 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.98 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.58 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 2.01 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.95 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.442 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 1.09 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.442 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.42 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 4.21 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 1.11 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 1.07 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.82 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 1.1 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.66 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 1.11 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 2.27 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 1.22 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 2.02 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.92 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.55 ' HA ' ' NE ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.83 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 1.16 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 1.08 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 1.12 110.815 -179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 1.23 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 1.15 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.2 155.85 33.27 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 1.0 112.575 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.39 123.63 18.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 2.85 110.662 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.2 117.44 2.98 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.717 -0.754 . . . . 2.74 112.764 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.22 -110.1 1.62 Allowed Glycine 0 C--N 1.332 0.32 0 O-C-N 123.771 0.336 . . . . 2.98 113.119 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -146.31 117.63 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.21 -0.663 . . . . 6.29 109.21 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.0 -4.81 23.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.69 -0.767 . . . . 3.24 111.915 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -114.13 87.41 13.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.818 -0.438 . . . . 5.67 109.818 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.25 142.23 26.88 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.574 2.183 . . . . 2.21 112.173 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m -60.38 132.47 54.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.715 -0.675 . . . . 1.22 110.33 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.63 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 1.1 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 3.23 110.935 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 1.14 108.789 177.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 1.12 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.56 100.25 28.96 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 1.32 109.293 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.32 99.49 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.778 2.319 . . . . 1.72 111.781 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 83.3 t60 -140.29 76.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.174 0.511 . . . . 6.35 110.886 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.52 20.27 5.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.109 0.957 . . . . 4.29 108.627 170.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.511 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 17.1 mt-10 -85.59 140.82 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.246 -1.343 . . . . 6.04 110.589 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -101.8 21.35 14.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.283 -0.417 . . . . 7.15 110.961 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -125.02 83.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.555 -0.293 . . . . 5.56 110.796 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -176.92 -58.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.143 0.497 . . . . 6.7 110.463 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.3 -76.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.355 -0.698 . . . . 2.29 111.355 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -102.57 129.68 49.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.379 -0.601 . . . . 2.45 109.379 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.75 37.29 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.218 0.532 . . . . 1.72 110.702 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.41 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.45 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.88 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.509 ' C ' HD21 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HA ' HG13 ' A' ' 121' ' ' VAL . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 1.09 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 1.08 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.601 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 1.2 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.37 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.43 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.22 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 1.38 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.518 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.431 HG23 HG21 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 1.13 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.518 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 4.71 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 1.27 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 3.05 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 1.42 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.46 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 1.17 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 1.24 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 4.43 109.626 178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.68 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.46 ' HG3' ' HB2' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.81 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 1.06 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 1.2 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 1.12 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 1.13 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 1.2 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.52 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.94 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 2.22 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.472 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 2.1 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 1.11 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 1.12 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.48 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.472 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.3 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 1.19 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.67 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.55 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 1.14 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.95 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.97 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 3.1 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.445 HG23 ' CD2' ' A' ' 55' ' ' HIS . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 1.38 111.26 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.6 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 1.44 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 1.43 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.54 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.404 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 1.17 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 1.31 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 1.15 111.118 -177.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.601 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.43 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.41 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 1.12 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.75 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.46 ' HB2' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.834 -0.506 . . . . 10.15 111.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 13.63 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.949 0.404 . . . . 9.01 111.278 -177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.5 tpt -132.06 141.65 49.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 9.6 110.143 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.52 -53.11 1.31 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.926 -0.654 . . . . 5.84 111.536 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.464 ' HG2' ' HD3' ' A' ' 7' ' ' PRO . 53.6 ttp -147.68 113.08 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.824 -0.435 . . . . 6.47 109.824 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -130.67 72.52 81.83 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.851 0.358 . . . . 2.98 110.907 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.464 ' HD3' ' HG2' ' A' ' 5' ' ' MET . 72.4 Cg_endo -84.85 -23.2 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.356 2.038 . . . . 1.66 112.843 -175.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.49 -39.71 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 2.18 110.674 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 1.32 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 1.2 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 4.03 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.98 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.58 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 2.01 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.95 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 1.09 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.445 ' HD3' ' HB1' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.42 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 4.21 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 1.11 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 1.07 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.82 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.663 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 1.1 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.66 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 1.11 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.663 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 2.27 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 1.22 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 2.02 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.92 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.83 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 1.16 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 1.08 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.41 HG21 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 1.12 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 1.23 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 1.15 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.21 160.41 42.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 1.0 113.03 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -68.48 132.37 46.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.93 0.395 . . . . 2.85 110.822 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.27 119.17 6.09 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.108 -0.797 . . . . 2.74 111.108 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.1 -19.79 70.39 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 121.362 -0.447 . . . . 2.98 113.684 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -75.45 -27.78 59.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 6.29 110.369 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.9 48.71 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.363 -0.922 . . . . 3.24 112.778 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.35 105.4 21.68 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.939 -0.393 . . . . 5.67 109.939 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.32 145.63 92.73 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.943 2.429 . . . . 2.21 111.988 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -62.29 144.38 55.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.662 -0.699 . . . . 1.22 110.364 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.63 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 1.1 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 3.23 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 HD13 HD21 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 1.14 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 1.12 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.57 97.87 49.61 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 1.32 110.475 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -73.67 125.53 10.1 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.185 1.924 . . . . 1.72 111.703 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -130.37 -16.49 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 6.35 111.163 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.57 -80.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.881 0.738 . . . . 4.29 112.033 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.29 159.63 19.37 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.75 -0.463 . . . . 6.04 109.75 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -140.23 65.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 7.15 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -61.11 108.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.783 -0.644 . . . . 5.56 110.147 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 63.18 25.85 15.01 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.699 -0.682 . . . . 6.7 110.382 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.13 162.13 14.96 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.035 -0.602 . . . . 2.29 111.795 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -67.47 142.46 56.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 2.45 110.644 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.95 45.52 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.539 0.685 . . . . 1.72 110.153 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.41 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.45 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.88 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 1.09 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 1.07 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 1.08 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 1.2 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.37 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.42 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.22 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 1.38 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 1.13 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.546 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 4.71 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 1.27 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 3.05 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 1.42 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.546 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.46 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 1.17 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 1.24 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 4.43 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.68 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.81 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 1.06 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 1.2 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 1.12 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 1.13 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.422 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 1.2 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.422 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.52 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.94 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 2.22 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 2.1 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 1.11 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 1.12 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.48 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.406 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.3 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 1.19 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.67 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.55 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 1.14 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.95 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.97 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 3.1 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 1.38 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.6 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 1.44 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 1.43 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.54 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 1.17 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 1.31 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 1.15 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.41 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 1.12 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.75 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.806 -0.517 . . . . 10.15 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.07 70.24 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.512 . . . . 9.01 110.823 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -82.41 19.68 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 9.6 111.216 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -15.18 55.63 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.642 -0.789 . . . . 5.84 111.244 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.95 25.12 2.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.237 0.541 . . . . 6.47 109.754 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -64.76 117.4 38.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.503 -0.771 . . . . 2.98 111.327 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.34 -34.35 77.47 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.466 2.11 . . . . 1.66 112.207 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -63.02 -52.91 61.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 2.18 110.402 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 1.32 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 1.2 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 4.03 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.98 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 2.01 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.95 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 1.09 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.42 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 4.21 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 1.11 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 1.07 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.82 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 1.1 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.66 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.11 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 2.27 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 1.22 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 2.02 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.92 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.83 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 1.16 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 1.08 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.457 HG21 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 1.12 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 1.23 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 1.15 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.44 167.79 54.63 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 1.0 112.213 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -65.77 121.11 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.726 -0.472 . . . . 2.85 109.726 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.9 98.12 1.08 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.586 -0.816 . . . . 2.74 112.899 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.2 -91.11 0.23 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.402 -0.428 . . . . 2.98 112.655 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -160.95 140.25 10.46 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 6.29 109.056 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.3 81.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.495 -0.859 . . . . 3.24 111.876 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.0 90.21 32.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.248 -0.279 . . . . 5.67 110.248 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.91 150.03 54.51 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.897 2.398 . . . . 2.21 111.465 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -60.33 133.51 56.16 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.079 -0.51 . . . . 1.22 110.264 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.63 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 1.1 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 3.23 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.457 HG12 HG21 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 1.14 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 1.12 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.22 99.52 24.05 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 1.32 110.749 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -83.76 -172.02 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.498 2.132 . . . . 1.72 111.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 56.3 48.09 17.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.599 . . . . 6.35 110.09 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.1 80.2 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.667 -0.697 . . . . 4.29 109.808 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.05 -39.84 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 6.04 110.109 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -103.18 75.72 1.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.761 -0.654 . . . . 7.15 110.095 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.0 t -121.62 100.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.08 0.467 . . . . 5.56 111.07 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -130.51 75.31 1.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.347 -0.612 . . . . 6.7 109.347 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.07 -95.0 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 2.29 111.467 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -97.77 123.55 41.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.152 -0.685 . . . . 2.45 109.152 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.79 45.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.154 0.502 . . . . 1.72 111.434 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.41 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.45 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.88 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 1.09 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 1.07 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 1.08 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 1.2 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.37 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.22 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 1.38 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.497 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 1.13 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.454 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 4.71 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.497 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 1.27 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 3.05 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 1.42 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.591 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.454 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.46 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 1.17 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 1.24 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.591 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 4.43 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.539 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.68 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.81 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 1.06 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.539 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 1.2 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 1.12 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 1.13 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.544 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 1.2 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.52 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.94 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 2.22 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 2.1 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 1.11 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 1.12 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.48 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.3 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 1.19 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.67 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.55 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 1.14 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.95 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.97 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 3.1 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 1.38 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.6 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 1.44 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 1.43 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.54 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 1.17 111.143 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 1.31 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 1.15 111.348 -175.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.41 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 1.12 111.153 178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.75 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.966 -0.454 . . . . 10.15 111.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.28 126.28 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.892 -0.181 . . . . 9.01 110.521 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 mmt 59.4 50.48 7.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.671 0.607 . . . . 9.6 110.974 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.3 40.58 2.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 5.84 111.703 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.6 mtm -84.81 -56.47 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.434 -0.21 . . . . 6.47 110.434 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t 60.35 77.3 0.38 Allowed Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 115.797 -0.638 . . . . 2.98 110.372 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.92 -21.4 70.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.405 2.07 . . . . 1.66 112.107 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 -67.17 -43.69 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 2.18 110.452 176.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 1.32 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 1.2 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 4.03 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.98 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.58 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 2.01 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.95 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.44 ' HB1' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 1.09 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.465 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.42 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 4.21 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 1.11 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 1.07 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.82 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 1.1 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.66 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 1.11 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 2.27 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 1.22 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 2.02 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.92 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.83 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 1.16 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 1.08 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 1.12 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 1.23 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 1.15 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . -73.41 160.35 53.73 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 1.0 113.178 -174.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.518 ' CD2' ' HA ' ' A' ' 46' ' ' PRO . 30.3 t80 -66.02 113.4 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.151 -0.685 . . . . 2.85 109.151 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 -23.69 25.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.591 -0.814 . . . . 2.74 112.558 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 173.82 46.65 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.003 -0.839 . . . . 2.98 111.003 -175.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 55.08 45.88 25.28 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.505 0.669 . . . . 6.29 110.453 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.12 33.73 35.35 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.716 -0.674 . . . . 3.24 112.952 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -129.23 90.92 43.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.662 0.268 . . . . 5.67 110.489 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 Cg_exo -79.92 160.72 24.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.441 2.761 . . . . 2.21 112.459 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m -66.06 141.95 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.888 -0.596 . . . . 1.22 110.666 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.63 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 1.1 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 3.23 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 1.14 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 1.12 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 101.23 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 1.32 109.996 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.33 -1.64 11.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.578 2.185 . . . . 1.72 113.018 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -143.3 126.37 16.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.944 -0.391 . . . . 6.35 109.944 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.33 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.463 -0.335 . . . . 4.29 110.615 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG2' ' H ' ' A' ' 58' ' ' HIS . 32.3 tt0 -89.47 171.01 10.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.338 -0.392 . . . . 6.04 110.037 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.489 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 15.4 p-80 -78.68 29.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.381 0.511 . . . . 7.15 112.381 -175.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 ' HB ' ' OG ' ' A' ' 113' ' ' SER . 43.9 t -132.06 82.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.04 -0.726 . . . . 5.56 109.04 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -91.68 47.95 1.41 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.877 -0.601 . . . . 6.7 111.25 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.06 -58.21 14.75 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.931 -0.868 . . . . 2.29 110.931 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -103.24 135.23 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.468 -0.567 . . . . 2.45 109.468 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.75 47.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.261 0.553 . . . . 1.72 110.916 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.41 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.45 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.88 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.433 ' HA ' HG11 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 1.09 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 1.07 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 1.08 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.439 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 1.2 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.544 ' HE1' ' HH ' ' A' ' 92' ' ' TYR . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.37 111.015 -175.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.22 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.413 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 1.38 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.552 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 1.13 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 4.71 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 1.27 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 3.05 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 1.42 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.46 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 1.17 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 1.24 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 4.43 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.517 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.68 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.81 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.544 ' HH ' ' HE1' ' A' ' 72' ' ' TRP . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 1.06 109.803 177.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 1.2 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 1.12 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 1.13 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 1.2 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.52 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.94 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 2.22 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.708 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 2.1 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 1.11 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 1.12 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.48 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.708 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.3 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 1.19 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.67 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.55 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 1.14 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.95 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.425 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.97 110.88 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 3.1 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 1.38 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.6 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 1.44 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 1.43 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.54 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.433 HG11 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 1.17 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 1.31 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 1.15 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.439 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.41 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 1.12 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.511 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.75 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.159 -0.377 . . . . 10.15 112.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.7 13.65 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 9.01 110.501 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 ptm -80.01 164.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.925 -0.58 . . . . 9.6 110.254 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.78 36.93 46.37 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.698 -0.763 . . . . 5.84 111.362 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.2 mtt -143.45 -61.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.125 -0.324 . . . . 6.47 110.125 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m 54.14 55.87 12.35 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.655 -0.702 . . . . 2.98 111.433 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.97 -27.16 7.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.238 1.958 . . . . 1.66 111.849 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.6 -36.14 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 2.18 109.876 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 1.32 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 1.2 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 4.03 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.98 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.58 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 2.01 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.641 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.95 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.453 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 1.09 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.453 ' HD3' ' HB2' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.42 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.641 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 4.21 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 1.11 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 1.07 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.82 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.1 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.66 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 1.11 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.416 ' O ' HD12 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 2.27 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 1.22 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 2.02 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.92 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.83 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 1.16 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 1.08 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 1.12 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 1.23 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 1.15 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . -83.93 145.6 22.63 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 1.0 113.338 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.421 ' OH ' ' HA ' ' A' ' 43' ' ' HIS . 54.2 t80 -74.57 122.9 23.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.508 -0.553 . . . . 2.85 109.508 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.77 -110.79 3.19 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.612 -0.804 . . . . 2.74 111.858 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.84 -53.7 6.24 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.576 -0.821 . . . . 2.98 111.791 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 3.2 t-160 -177.43 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 6.29 110.051 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.14 83.17 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.763 -0.653 . . . . 3.24 114.003 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -102.36 109.71 61.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.268 0.534 . . . . 5.67 110.944 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.03 140.68 14.35 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.741 2.294 . . . . 2.21 111.773 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' OG1' ' HB2' ' A' ' 40' ' ' TYR . 54.7 m -60.67 137.81 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 1.22 111.309 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.63 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 1.1 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.529 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 3.23 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 HD11 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 1.14 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 1.12 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . . . -114.25 115.37 45.14 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 1.32 110.401 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 53' ' ' ALA . 9.5 Cg_exo -70.15 69.78 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.653 2.235 . . . . 1.72 112.054 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -109.39 94.86 5.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.957 -0.565 . . . . 6.35 110.041 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.71 150.59 47.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 4.29 110.428 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -87.98 120.36 29.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.142 -0.688 . . . . 6.04 109.142 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -146.17 66.01 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.496 . . . . 7.15 110.712 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.0 t 74.97 -58.18 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.294 -0.866 . . . . 5.56 112.158 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -91.41 139.43 30.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.355 -0.239 . . . . 6.7 110.355 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.04 -174.3 28.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.074 -0.584 . . . . 2.29 111.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -92.22 146.86 23.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.95 -0.389 . . . . 2.45 109.95 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.94 35.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.072 0.463 . . . . 1.72 111.099 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.41 110.155 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.45 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.88 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 1.09 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 1.07 110.808 175.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 1.08 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.403 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 1.2 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.37 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.5 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.22 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 1.38 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 1.13 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.558 ' NE ' ' HA ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 4.71 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 1.27 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 3.05 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 1.42 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.46 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 1.17 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 1.24 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 4.43 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.68 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.81 110.562 176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 1.06 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 1.2 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 1.12 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 1.13 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.495 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 1.2 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.495 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.52 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.94 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 2.22 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.54 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 2.1 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 1.11 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 1.12 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.48 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.3 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 1.19 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.67 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.55 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 1.14 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.95 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.97 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 3.1 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 1.38 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.6 109.729 177.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 1.44 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 1.43 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.54 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.416 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 1.17 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 1.31 108.811 176.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 1.15 109.841 -174.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.403 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . 0.5 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.41 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 1.12 111.181 178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.75 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.308 -0.317 . . . . 10.15 112.308 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 9.01 111.682 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptm -89.26 14.84 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.925 0.393 . . . . 9.6 110.957 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.569 ' HA2' ' HH ' ' A' ' 40' ' ' TYR . . . -127.08 12.62 6.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.879 -0.677 . . . . 5.84 111.897 178.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -116.97 26.72 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.443 0.64 . . . . 6.47 110.311 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -140.03 62.21 20.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 2.98 110.565 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.09 -35.77 24.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.324 2.016 . . . . 1.66 111.996 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.59 -51.17 68.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.523 . . . . 2.18 110.904 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 1.32 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 1.2 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 4.03 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.98 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.58 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 2.01 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.95 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.4 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 1.09 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.42 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 4.21 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 1.11 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 1.07 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.82 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 1.1 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.66 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 1.11 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 2.27 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 1.22 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 2.02 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.92 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.83 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 1.16 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 1.08 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 1.12 111.006 -175.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 1.23 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 1.15 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.6 -176.26 47.08 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 1.0 112.527 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.569 ' HH ' ' HA2' ' A' ' 4' ' ' GLY . 22.5 t80 -70.04 114.15 7.93 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 2.85 109.174 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.53 72.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.661 -0.781 . . . . 2.74 112.665 -173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.94 -62.86 3.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.192 -0.528 . . . . 2.98 112.251 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -148.45 -29.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.577 -0.527 . . . . 6.29 109.577 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.07 -157.44 25.18 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.621 -0.718 . . . . 3.24 111.55 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.94 89.98 0.1 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.712 0.405 . . . . 5.67 110.588 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.418 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 20.4 Cg_endo -61.32 129.06 26.88 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.413 2.075 . . . . 2.21 111.663 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.526 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m -67.06 124.36 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 1.22 111.134 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.63 109.496 -176.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 1.1 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 3.23 110.18 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 1.14 109.69 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 1.12 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 66' ' ' LEU . . . -123.13 104.93 34.78 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 1.32 111.215 -176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -87.03 136.61 4.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.649 2.233 . . . . 1.72 110.825 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -97.89 87.45 4.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.246 0.546 . . . . 6.35 111.144 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.484 0.659 . . . . 4.29 109.493 173.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -70.83 140.74 51.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.037 -0.983 . . . . 6.04 108.949 172.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -80.87 60.97 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.486 0.66 . . . . 7.15 110.902 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.18 76.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.213 -0.903 . . . . 5.56 108.937 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -77.4 75.05 3.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.372 -0.831 . . . . 6.7 110.167 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.43 -76.55 1.28 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.507 -0.77 . . . . 2.29 111.65 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.08 136.92 42.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.851 -0.425 . . . . 2.45 109.851 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 50.12 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 1.72 111.365 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.556 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.41 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.45 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.88 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 1.09 109.619 -170.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 1.07 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 1.08 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.582 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 1.2 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.37 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.22 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 1.38 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.472 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 1.13 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 4.71 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 1.27 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.467 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 3.05 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 1.42 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.46 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 1.17 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 1.24 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 4.43 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.68 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.81 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 1.06 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 1.2 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 1.12 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 1.13 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 1.2 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.52 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.94 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 2.22 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 2.1 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 1.11 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 1.12 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.48 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.3 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 1.19 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.67 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.55 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.423 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 1.14 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.95 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.97 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 3.1 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 1.38 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.556 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.6 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 1.44 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 1.43 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.54 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 1.17 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 1.31 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HB3' HD12 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 1.15 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.582 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.41 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 71' ' ' THR . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 1.12 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.75 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.177 -0.369 . . . . 10.15 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.23 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 9.01 111.047 -178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.5 ttm -74.12 -8.2 55.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.433 0.635 . . . . 9.6 110.374 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -0.88 89.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.914 -0.66 . . . . 5.84 112.768 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.492 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 ppp? -73.36 -13.69 61.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.867 0.333 . . . . 6.47 111.18 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -103.95 92.7 4.65 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 2.98 109.756 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.492 ' HD3' ' O ' ' A' ' 5' ' ' MET . 90.1 Cg_endo -90.53 7.39 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.716 2.277 . . . . 1.66 113.529 -174.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.07 -43.74 73.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 1.32 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 1.2 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 4.03 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.98 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.58 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 2.01 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.95 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 1.09 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.42 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 4.21 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 1.11 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.82 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 1.1 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.66 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 1.11 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 2.27 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 1.22 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 2.02 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.92 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.83 109.413 172.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 1.16 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 1.08 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 1.12 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 1.23 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 1.15 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.18 175.59 55.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 1.0 113.351 -172.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.891 ' HH ' ' HD1' ' A' ' 43' ' ' HIS . 73.5 t80 -86.22 113.16 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 2.85 110.128 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.99 91.44 0.28 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.849 -0.691 . . . . 2.74 111.526 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.63 153.26 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.68 -0.771 . . . . 2.98 111.444 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.891 ' HD1' ' HH ' ' A' ' 40' ' ' TYR . 24.3 m-70 -66.15 148.19 52.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.288 -0.264 . . . . 6.29 110.288 -178.437 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.56 20.42 61.99 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.834 -0.698 . . . . 3.24 112.301 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.74 88.34 54.39 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.367 -0.234 . . . . 5.67 110.367 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.51 130.55 26.96 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.485 2.123 . . . . 2.21 112.319 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.71 137.89 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.031 -0.531 . . . . 1.22 109.925 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.63 110.538 -173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 1.1 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 3.23 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 1.14 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 1.12 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.94 101.56 26.17 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 1.32 110.46 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.45 48.18 2.8 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.749 2.299 . . . . 1.72 112.031 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -145.75 75.23 1.41 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.014 -0.539 . . . . 6.35 109.633 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.34 -3.73 44.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 4.29 111.245 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.73 60.75 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.425 0.631 . . . . 6.04 109.437 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -151.03 51.04 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.836 -0.802 . . . . 7.15 108.836 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.87 87.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.456 -0.793 . . . . 5.56 110.838 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -118.82 -5.52 10.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.994 -0.743 . . . . 6.7 108.994 172.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.27 -62.02 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.392 -0.822 . . . . 2.29 111.745 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -105.02 143.31 33.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.312 -0.255 . . . . 2.45 110.312 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.03 42.57 1.6 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.581 . . . . 1.72 110.514 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.563 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.41 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.45 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.88 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 1.09 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 1.08 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.564 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 1.2 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.37 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.22 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 1.38 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 1.13 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.532 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 4.71 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 1.27 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 3.05 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 1.42 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.408 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.532 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.46 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 1.17 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 1.24 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.408 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 4.43 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.496 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.68 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.81 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 1.06 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 1.2 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 1.12 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 1.13 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.452 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 1.2 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.452 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.52 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.94 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 2.22 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.501 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 2.1 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 1.11 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 1.12 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.48 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.501 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.3 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 1.19 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.67 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.55 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 1.14 109.331 -175.13 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.95 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.97 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 3.1 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 1.38 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.563 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.6 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 1.44 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 1.43 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.54 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 1.17 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 1.31 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 1.15 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.564 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.41 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 1.12 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.75 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.823 -0.511 . . . . 10.15 111.823 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.01 168.06 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 0.227 . . . . 9.01 110.592 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt 61.9 33.81 17.3 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.765 0.666 . . . . 9.6 110.8 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.74 161.62 21.16 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.267 -0.733 . . . . 5.84 111.267 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -98.38 113.66 25.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.493 0.664 . . . . 6.47 110.706 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.481 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 51.0 m -151.79 -57.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 2.98 110.99 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.481 ' HD2' ' H ' ' A' ' 6' ' ' SER . 31.7 Cg_endo -63.88 -20.64 68.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 121.82 1.68 . . . . 1.66 111.919 177.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.492 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 -84.94 -35.99 21.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.436 -0.802 . . . . 2.18 109.93 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 1.32 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 1.2 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.413 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 4.03 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.98 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.58 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.538 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 2.01 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.95 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 1.09 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.42 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 4.21 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 1.11 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 1.07 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.82 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 1.1 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.66 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 1.11 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 2.27 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 1.22 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 2.02 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.92 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.83 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 1.16 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 1.08 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 1.12 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 1.23 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.422 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 1.15 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.538 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . -96.96 -150.19 26.5 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 1.0 112.755 -174.227 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.499 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 54.9 t80 -86.55 113.25 22.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 2.85 110.639 -175.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.59 7.21 1.97 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.005 -0.617 . . . . 2.74 111.83 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.13 -49.96 0.85 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.973 -0.632 . . . . 2.98 111.867 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -80.37 -45.12 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.39 0.614 . . . . 6.29 109.387 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.499 ' O ' ' HA ' ' A' ' 40' ' ' TYR . . . -94.77 112.48 4.38 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.194 -0.912 . . . . 3.24 111.411 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.544 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 33.2 t60 -88.62 -48.3 0.43 Allowed Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 120.959 -0.296 . . . . 5.67 110.287 177.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.544 ' HD3' ' HB3' ' A' ' 45' ' ' HIS . 9.8 Cg_endo -91.85 127.85 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.308 2.005 . . . . 2.21 111.012 172.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 17.0 m -64.87 139.16 58.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.774 0.321 . . . . 1.22 110.984 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' CG ' ' HB ' ' A' ' 38' ' ' VAL . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.63 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 1.1 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 3.23 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 1.14 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 1.12 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.41 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . -105.88 103.34 43.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 1.32 111.078 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.63 143.91 27.65 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.377 2.052 . . . . 1.72 111.592 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 58.58 52.9 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 6.35 110.944 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.73 55.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.491 0.662 . . . . 4.29 110.047 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.61 178.47 4.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.1 -0.954 . . . . 6.04 110.595 -175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.8 t60 60.58 56.29 3.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.84 0.828 . . . . 7.15 109.133 -173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.21 134.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.374 -0.83 . . . . 5.56 109.801 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -125.48 30.54 5.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.323 0.582 . . . . 6.7 110.539 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -105.31 -82.59 1.58 Allowed Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.556 -0.747 . . . . 2.29 111.519 177.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -104.2 141.97 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.128 -0.694 . . . . 2.45 109.128 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.49 48.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.987 0.422 . . . . 1.72 110.744 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.41 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.45 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.88 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 1.09 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 1.07 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 1.08 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 1.2 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.37 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.22 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 1.38 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.507 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 1.13 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.55 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 4.71 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 1.27 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 3.05 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 1.42 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.46 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 1.17 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 1.24 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 4.43 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.573 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.68 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.81 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 1.06 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.573 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 1.2 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 1.12 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 1.13 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.49 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 1.2 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.52 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.94 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 2.22 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 2.1 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 1.11 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 1.12 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.48 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.3 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 1.19 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.67 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.55 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 1.14 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.95 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.97 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.41 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 3.1 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 1.38 110.545 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.6 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 1.44 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 1.43 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.54 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 1.17 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 1.31 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' HG ' HD12 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 1.15 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.454 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.41 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.518 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 1.12 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . 0.496 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.75 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.302 -0.629 . . . . 2.18 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.42 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 0.74 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 0.6 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 3.56 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.49 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 1.51 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.72 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 0.32 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.37 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 3.58 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 25' ' ' ILE . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.38 110.275 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 0.28 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.36 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 0.35 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 51' ' ' ILE . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.931 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.42 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 1.69 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.49 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 1.44 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.08 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 0.49 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 0.89 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 HG12 ' A' ' 51' ' ' ILE . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 0.49 110.755 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.54 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 0.46 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 0.84 112.845 -175.273 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.925 0.393 . . . . 0.89 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.06 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 0.36 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 2.62 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 0.93 110.443 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.944 0.402 . . . . 1.16 111.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.08 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.2 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD23 HD12 ' A' ' 51' ' ' ILE . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 0.32 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 0.3 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.28 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 0.75 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.32 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.02 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 0.74 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 0.4 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.545 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 3.96 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 0.55 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG2' ' HD3' ' A' ' 12' ' ' ARG . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 2.59 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 0.79 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.43 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.57 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 0.63 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.521 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 3.71 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.58 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.06 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.64 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.48 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 0.44 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 0.4 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 0.56 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.46 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.22 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 1.52 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 1.58 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 0.41 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.35 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.44 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.01 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 0.66 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.35 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.5 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 0.46 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.89 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.38 110.706 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 2.7 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 0.8 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.21 110.835 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.84 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 0.91 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.0 108.497 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 0.5 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 0.73 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 0.37 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.4 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 0.39 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.61 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.507 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 120.472 0.177 . . . . 2.18 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 0.74 110.126 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 0.6 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 3.56 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 9' ' ' THR . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.49 110.658 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.51 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 1.51 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.72 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 0.32 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.37 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 3.58 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.38 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 0.28 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.36 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 0.35 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.05 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 0.42 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 1.69 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 0.49 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 1.44 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.25 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.08 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.89 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 51' ' ' ILE . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 0.49 110.857 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 0.54 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 0.46 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 0.84 112.636 -175.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 0.89 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.06 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 0.36 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 2.62 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 0.42 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 0.46 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 0.93 110.706 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.095 0.474 . . . . 1.16 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.13 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.08 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.2 109.645 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.32 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.3 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.28 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.494 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 0.75 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.32 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.02 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 0.74 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.4 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 3.96 111.79 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 0.55 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 2.59 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 0.79 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.43 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 0.57 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.63 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 3.71 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.58 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.06 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.64 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 0.48 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.44 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 0.4 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 0.56 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.46 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.22 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 1.52 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 1.58 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 0.41 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 0.35 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.44 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.01 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 0.66 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.35 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.5 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.89 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.38 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 2.7 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.8 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.21 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 0.84 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.91 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.0 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 0.5 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 0.73 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 126' ' ' LEU . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 0.37 110.96 -177.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.494 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 0.39 111.263 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.61 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.785 0.326 . . . . 2.18 110.7 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.74 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 0.6 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 3.56 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.49 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.51 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.72 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 0.32 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.37 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 3.58 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.38 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 0.28 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 23' ' ' ARG . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.36 111.001 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.05 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.42 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 1.69 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 0.49 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 1.44 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.08 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 0.49 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 0.89 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 HG12 ' A' ' 51' ' ' ILE . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 0.49 110.119 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 0.54 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 0.46 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 0.84 113.101 -171.47 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.091 0.472 . . . . 0.89 111.24 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.06 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 0.36 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 2.62 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 35' ' ' THR . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 0.42 109.157 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.371 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 0.93 109.989 175.601 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 1.16 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.08 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.2 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 0.32 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 0.3 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 68' ' ' LEU . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 0.28 110.687 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 0.75 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.32 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.02 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.74 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 0.4 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 3.96 112.082 -178.345 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 0.55 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 2.59 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.43 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 0.57 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 0.63 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 3.71 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.58 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.06 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 0.48 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 0.44 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 0.4 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 0.56 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.46 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.22 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 1.52 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 1.58 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 0.41 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.35 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.44 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.01 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 0.66 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.35 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.5 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 0.46 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.89 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.38 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 2.7 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 0.8 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.84 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 0.91 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 0.5 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 0.73 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 0.37 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.4 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 0.39 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.61 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.74 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.6 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 3.56 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.49 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.51 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 1.51 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.72 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 0.32 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.37 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 3.58 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 0.38 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.28 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.05 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.42 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 1.69 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 0.49 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 1.44 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.25 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.08 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 0.49 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 0.89 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 0.49 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 0.54 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.46 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 0.84 112.927 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.89 110.608 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 71' ' ' THR . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.06 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 0.36 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 2.62 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 0.42 109.22 175.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 0.46 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 0.93 111.139 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.637 0.236 . . . . 1.16 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.13 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.08 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.2 111.874 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 51' ' ' ILE . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.32 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB1' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.3 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 0.28 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 48' ' ' GLN . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 0.75 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.32 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.02 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 0.74 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 0.4 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 3.96 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 0.55 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.622 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 2.59 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 79' ' ' ARG . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 0.79 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.43 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.57 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.63 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 3.71 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.06 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.64 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 0.48 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.4 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 100' ' ' LEU . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 0.56 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.46 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.22 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.52 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 1.58 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.41 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.35 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.01 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 0.66 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.35 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.5 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 0.46 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.89 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.38 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 2.7 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.8 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.21 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 0.84 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 0.91 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.567 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 0.5 110.872 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 0.73 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 0.37 110.837 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.425 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.4 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 0.39 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.61 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 12' ' ' ARG . 27.4 t70 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.889 0.376 . . . . 2.18 110.111 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 0.74 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.6 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 11' ' ' ARG . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 3.56 111.359 -176.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 8' ' ' ASP . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.49 111.476 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.51 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 1.51 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.72 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 0.32 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.37 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 3.58 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.38 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.28 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.36 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 0.35 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.42 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 1.69 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 0.49 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 1.44 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.25 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.08 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 0.49 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 0.89 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 51' ' ' ILE . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 0.49 110.811 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 0.46 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 0.84 113.672 -170.351 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.89 111.101 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.06 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 0.36 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 2.62 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 68' ' ' LEU . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 0.42 109.125 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.463 HG22 ' ND2' ' A' ' 67' ' ' ASN . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 0.46 110.517 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 0.93 109.558 176.779 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.941 0.401 . . . . 1.16 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.08 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.2 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 52' ' ' VAL . 25.4 t-20 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 51' ' ' ILE . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.32 109.558 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 0.3 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.28 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.604 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 0.75 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.32 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.02 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 0.74 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.4 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.534 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 3.96 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 0.55 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 2.59 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.79 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.43 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 0.57 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 0.63 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 3.71 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.58 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 0.64 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.48 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 0.44 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 0.4 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 0.56 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.46 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.22 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 1.52 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 1.58 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 0.41 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.44 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.01 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 0.66 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.35 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.5 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 0.46 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.89 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.38 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 2.7 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 0.8 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 25.4 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.21 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 0.84 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 0.91 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 -175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 0.5 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 0.73 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 0.37 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.604 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.4 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 123' ' ' LEU . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.39 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.61 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 0.74 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.6 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 3.56 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.49 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.51 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 1.51 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.72 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 0.32 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.37 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 0.38 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 0.28 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.36 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.35 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 0.42 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 1.69 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 1.44 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.25 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.08 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 0.49 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 0.89 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 0.49 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 0.54 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 0.46 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 0.84 112.387 -176.179 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.469 HG21 ' HA ' ' A' ' 14' ' ' ASP . 12.0 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.89 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.06 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 0.36 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.62 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 HG22 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 0.42 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 0.46 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.93 110.342 178.735 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.372 0.606 . . . . 1.16 110.067 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.13 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.08 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.2 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 51' ' ' ILE . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 0.32 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 0.3 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 0.75 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.32 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.02 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.74 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 0.4 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 3.96 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 0.55 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 2.59 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 0.79 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.43 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 0.57 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.63 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 3.71 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.58 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.06 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.64 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.48 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.44 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 0.4 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 0.56 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.46 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.22 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 1.52 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 1.58 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 0.41 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.35 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.44 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.01 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 0.66 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.35 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.5 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 0.46 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.89 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.38 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 2.7 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 0.8 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.21 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.84 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 0.91 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 0.5 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 0.73 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.37 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.4 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.39 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.61 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.56 0.219 . . . . 2.18 110.469 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 0.74 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 0.6 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 3.56 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.659 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.49 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.51 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 1.51 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.72 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 0.32 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.37 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 3.58 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 0.38 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 0.28 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.36 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.35 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.42 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 1.69 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 0.49 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 1.44 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.25 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.08 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 0.49 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 0.89 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 0.49 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 48' ' ' GLN . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.46 109.013 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 0.84 113.683 -171.568 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.743 0.306 . . . . 0.89 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.087 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 0.36 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 2.62 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 68' ' ' LEU . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 0.42 108.968 174.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 0.46 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 0.93 110.392 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.212 0.529 . . . . 1.16 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.13 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.08 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.2 110.434 -175.201 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 0.32 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 0.3 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.28 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.555 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 0.75 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.32 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.02 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 0.74 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.4 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 3.96 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 0.55 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.659 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 2.59 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 0.79 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.43 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 0.57 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 3.71 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.58 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.06 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.64 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.48 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.44 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 0.4 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 0.56 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.46 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.22 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 1.52 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 1.58 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 0.41 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 0.35 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.44 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.01 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.35 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.5 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 0.46 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.89 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.38 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 2.7 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.8 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 25.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.21 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.84 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 0.91 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.0 108.936 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 0.5 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 0.73 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.37 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.555 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.4 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 0.39 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.61 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.04 0.448 . . . . 2.18 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.528 HG22 HG22 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.74 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 0.6 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 3.56 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.49 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.72 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 0.32 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.37 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 3.58 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.38 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.28 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.36 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 0.35 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.05 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.42 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.69 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 1.44 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.25 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.08 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 0.49 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 0.89 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 51' ' ' ILE . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 0.49 110.815 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.54 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 0.46 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 0.84 112.575 -177.084 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.33 -0.248 . . . . 0.89 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.06 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 0.36 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 2.62 110.935 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 68' ' ' LEU . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 0.42 108.789 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 0.93 109.293 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.218 0.532 . . . . 1.16 110.702 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.13 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.08 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.2 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 51' ' ' ILE . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 0.32 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 0.3 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.28 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.616 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 0.75 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.32 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.02 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 0.74 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.528 HG22 HG22 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 0.4 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 3.96 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 0.55 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 2.59 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 0.79 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.43 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 0.57 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.63 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 88' ' ' ARG . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 3.71 109.626 178.056 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.58 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.555 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.06 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 0.64 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.48 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 0.44 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.4 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 0.56 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.46 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.22 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 1.52 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 1.58 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.41 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.44 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.01 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 0.66 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.35 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.5 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.89 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.38 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 2.7 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.8 111.26 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.21 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 0.84 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 0.91 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 0.5 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 0.73 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.37 111.118 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.616 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.437 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.4 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 0.39 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.61 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.555 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.736 0.303 . . . . 2.18 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.74 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.6 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 3.56 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.49 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.51 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 1.51 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.72 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 0.32 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.37 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 3.58 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 0.38 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 0.28 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.36 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 0.35 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.05 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.42 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 1.69 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.49 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 1.44 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.25 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.08 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 0.49 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 0.89 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 0.49 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 0.54 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 0.46 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 0.84 113.03 -176.131 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.364 -0.236 . . . . 0.89 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.06 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.36 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 2.62 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 0.42 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.475 178.651 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.539 0.685 . . . . 1.16 110.153 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.13 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.08 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.2 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 51' ' ' ILE . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 0.32 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 0.3 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 0.28 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 0.75 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.32 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.02 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 0.74 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.4 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.56 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 3.96 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.55 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 2.59 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 0.79 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.43 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 0.57 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.63 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 3.71 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.58 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.06 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.64 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.48 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.44 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 0.4 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 0.56 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.46 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.22 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 1.52 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 1.58 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 0.41 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.35 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.44 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.01 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 0.66 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.35 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.5 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 0.46 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.89 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.38 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 2.7 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.8 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.21 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 0.84 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 0.91 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 0.5 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 0.73 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 0.37 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.423 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.4 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 0.39 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.61 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.809 0.338 . . . . 2.18 110.402 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 0.74 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.6 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 3.56 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.49 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.51 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 1.51 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.72 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 0.32 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.37 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 3.58 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.38 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 0.28 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.36 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.35 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.05 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.42 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 1.69 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 1.44 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.25 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.08 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 0.49 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 0.89 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.576 HG22 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 0.49 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 0.54 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.46 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 0.84 112.213 -179.169 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.899 0.38 . . . . 0.89 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 0.36 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 2.62 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 0.42 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 0.46 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.93 110.749 179.62 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 121.154 0.502 . . . . 1.16 111.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.13 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.08 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 0.32 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.3 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 0.75 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.32 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.02 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 0.74 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.4 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.472 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 3.96 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 0.55 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 2.59 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 0.79 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.43 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.57 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.63 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 3.71 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.58 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.06 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.64 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 0.48 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 0.44 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.4 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 0.56 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.46 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.22 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 1.52 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 1.58 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.41 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 0.35 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.44 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.01 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 0.66 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.35 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.5 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 0.46 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.89 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.38 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 2.7 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 0.8 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.21 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.84 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 0.91 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 0.5 111.143 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.73 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 0.37 111.348 -175.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.4 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.39 111.153 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.427 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.61 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.933 0.397 . . . . 2.18 110.452 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 0.74 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 0.6 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 3.56 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.49 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.51 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 1.51 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.72 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.37 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 3.58 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.38 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 0.28 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.36 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 1.69 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 0.49 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 1.44 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.08 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 0.49 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 0.89 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 0.49 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 0.54 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 0.46 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 0.84 113.178 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.754 0.311 . . . . 0.89 110.666 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 0.36 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 2.62 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 0.42 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 0.46 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 0.93 109.996 175.849 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.261 0.553 . . . . 1.16 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.13 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.08 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.2 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HG13 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 0.32 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 0.3 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 0.28 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.455 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.75 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.32 111.015 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.02 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 0.74 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 3.96 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.55 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 2.59 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 0.79 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.43 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.57 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 0.63 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 3.71 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.58 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.06 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.64 109.803 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.48 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.44 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 0.4 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 0.56 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.46 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.22 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.715 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 1.58 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 0.41 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.35 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.44 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.715 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.01 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 0.66 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.35 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.5 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 0.46 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.89 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.38 110.88 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 2.7 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 0.8 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.21 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.84 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 0.91 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 0.5 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 0.73 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 0.37 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.455 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.4 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.39 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.53 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.61 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 2.18 109.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 0.74 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 0.6 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 3.56 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.49 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.51 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 1.51 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.72 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 0.32 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.37 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 3.58 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.38 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.28 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.36 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.35 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.05 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 0.42 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 1.69 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 0.49 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 1.44 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.25 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.08 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.49 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 0.89 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 0.49 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.54 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 0.46 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 0.84 113.338 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.99 0.424 . . . . 0.89 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.06 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 0.36 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 2.62 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 0.42 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 0.93 110.401 -179.394 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.072 0.463 . . . . 1.16 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.13 110.155 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.08 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.2 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 51' ' ' ILE . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.32 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.3 110.808 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 0.28 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 0.75 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.32 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.509 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.02 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 0.74 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 0.4 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 3.96 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 0.55 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 2.59 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 0.79 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.43 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.57 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.63 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 3.71 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.58 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.06 110.562 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.64 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.48 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 0.44 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.4 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 0.56 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.46 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.22 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 1.52 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 1.58 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 0.41 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 0.35 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.44 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.01 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 0.66 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.35 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.5 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 0.46 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.89 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.38 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 2.7 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 0.8 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.21 109.729 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 0.84 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.91 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 0.5 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 69' ' ' ALA . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 0.73 108.811 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 126' ' ' LEU . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 0.37 109.841 -174.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . 0.509 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 0.39 111.181 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.61 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.954 0.406 . . . . 2.18 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 0.74 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.6 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 3.56 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.49 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.51 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 1.51 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.72 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 0.32 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.37 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 3.58 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.38 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.36 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.35 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.42 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 1.69 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.49 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 1.44 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.25 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.08 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 0.49 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 0.89 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.445 HG22 HG12 ' A' ' 51' ' ' ILE . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 0.49 111.006 -175.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 0.54 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 0.46 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 0.84 112.527 -175.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.034 0.445 . . . . 0.89 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.06 109.496 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 0.36 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 2.62 110.18 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 HD23 ' A' ' 68' ' ' LEU . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 0.42 109.69 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 0.46 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 0.93 111.215 -176.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.097 0.475 . . . . 1.16 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.13 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.08 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 51' ' ' ILE . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 0.32 109.619 -170.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 0.3 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.28 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.595 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 0.75 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.32 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.02 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.74 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 0.4 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 3.96 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 0.55 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 2.59 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.79 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.43 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 0.57 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 0.63 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 3.71 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.58 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.06 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 0.48 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 0.44 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 0.4 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 0.56 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.46 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.22 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 1.52 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 1.58 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 0.41 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 0.35 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.44 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.01 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 0.66 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.35 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.5 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 0.46 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.89 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.38 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 2.7 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 0.8 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.21 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.84 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.91 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 0.5 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 0.73 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.37 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.595 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.4 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 0.39 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.61 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 0.74 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 3.56 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.49 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.51 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 1.51 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.72 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 0.32 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.37 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 3.58 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.38 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 0.28 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.36 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.42 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 1.69 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.49 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 1.44 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.25 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 32' ' ' ARG . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.08 109.413 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 0.49 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 0.89 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 0.49 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 0.54 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.46 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 0.84 113.351 -172.672 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.925 -0.398 . . . . 0.89 109.925 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.417 ' HB3' HG22 ' A' ' 71' ' ' THR . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.06 110.538 -173.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 0.36 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 2.62 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 0.42 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 0.46 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 0.93 110.46 178.996 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 1.16 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.08 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.2 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 0.32 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 0.28 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.581 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 0.75 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.32 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 0.74 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 0.4 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 3.96 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 0.55 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 2.59 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.79 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.43 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.57 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.63 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 3.71 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.58 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.06 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.64 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.48 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.44 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.4 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 0.56 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.46 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.22 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 1.52 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 1.58 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 0.41 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 0.35 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.01 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 0.66 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.35 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.5 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 0.46 109.331 -175.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.89 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.38 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 2.7 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 0.8 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.21 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.84 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 0.91 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.0 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 0.5 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 0.73 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 0.37 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.581 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.4 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 0.39 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.61 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.93 -0.396 . . . . 2.18 109.93 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 0.74 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 0.6 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 3.56 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.49 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.51 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.51 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.72 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 0.32 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.37 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 3.58 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.38 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 0.28 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.36 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.35 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.05 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 0.42 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 1.69 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.49 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 1.44 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.25 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.08 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 0.49 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 0.89 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 0.49 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 0.54 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 0.46 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.545 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 0.84 112.755 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.429 HG23 ' HA2' ' A' ' 39' ' ' GLY . 17.0 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.89 110.984 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.06 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 0.36 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 2.62 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 0.42 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 0.93 111.078 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.987 0.422 . . . . 1.16 110.744 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.13 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.08 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.2 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 0.32 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 0.3 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.32 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.02 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 0.74 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 127' ' ' ASP . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 3.96 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 0.55 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 2.59 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 0.79 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.43 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 0.57 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 0.63 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 3.71 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.58 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.06 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.64 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 0.48 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.44 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.4 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 0.56 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.46 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.22 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 1.52 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 1.58 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 0.41 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 0.35 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.44 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 0.66 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.35 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.5 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 0.46 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.89 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.38 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 2.7 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.8 110.545 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.21 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.84 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 0.5 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 0.73 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 0.37 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.4 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 0.39 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . 0.528 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.61 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.906 -0.478 . . . . 9.84 111.906 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 80.63 6.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 8.62 111.17 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.0 167.66 10.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.08 -0.509 . . . . 9.31 109.734 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.38 67.35 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.34 -0.457 . . . . 5.55 112.738 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptm -127.52 23.17 6.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.553 0.692 . . . . 6.19 109.409 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -100.95 142.93 25.59 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.353 -0.84 . . . . 2.78 110.372 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.33 -12.92 37.65 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.528 2.152 . . . . 1.35 111.366 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.51 -34.44 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 2.18 109.302 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.42 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 0.74 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 0.6 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 3.56 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.49 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 1.51 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.72 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 0.32 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.37 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 3.58 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 25' ' ' ILE . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.38 110.275 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 0.28 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.36 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 0.35 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 51' ' ' ILE . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.931 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.42 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 1.69 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.49 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 1.44 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.08 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 0.49 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 0.89 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 HG12 ' A' ' 51' ' ' ILE . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 0.49 110.755 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.54 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 0.46 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.41 174.48 55.06 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 0.84 112.845 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -70.07 114.26 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.792 -0.447 . . . . 2.57 109.792 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.82 47.54 1.02 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.687 . . . . 2.74 112.069 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 163.69 25.09 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.785 -0.722 . . . . 2.95 112.098 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -63.8 115.82 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.748 0.309 . . . . 5.56 110.452 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.61 -3.7 23.16 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.775 -0.726 . . . . 3.24 111.677 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -114.69 96.18 43.13 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.936 -0.394 . . . . 4.97 109.936 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.19 147.13 41.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.676 2.25 . . . . 1.87 112.631 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m -84.04 133.37 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.935 -0.575 . . . . 0.89 110.512 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.06 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 0.36 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 2.62 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -130.36 81.43 68.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 0.93 110.443 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -88.4 -177.0 1.67 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.578 2.185 . . . . 1.67 111.347 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 59.92 74.23 0.45 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.281 0.563 . . . . 5.54 110.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.23 93.66 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.952 -0.567 . . . . 3.83 109.509 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.34 -60.66 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 6.04 111.356 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -108.19 22.18 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.901 0.381 . . . . 6.46 111.263 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 113' ' ' SER . 58.9 t -124.09 121.49 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.337 -0.392 . . . . 5.11 111.005 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -134.74 129.66 35.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.657 -0.497 . . . . 5.97 109.657 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.32 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.692 -0.766 . . . . 1.94 111.785 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -103.77 144.53 31.35 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.661 -0.496 . . . . 2.22 109.661 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.66 33.69 1.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.944 0.402 . . . . 1.16 111.491 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.08 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.2 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD23 HD12 ' A' ' 51' ' ' ILE . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 0.32 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 0.3 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.28 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 0.75 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.32 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.02 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 0.74 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 0.4 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.545 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 3.96 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 0.55 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG2' ' HD3' ' A' ' 12' ' ' ARG . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 2.59 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 0.79 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.43 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.57 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 0.63 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.521 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 3.71 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.58 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.06 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.64 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.48 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 0.44 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 0.4 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 0.56 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.46 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.22 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 1.52 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 1.58 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 0.41 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.35 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.44 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.01 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 0.66 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.35 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.5 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 0.46 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.89 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.444 ' HB3' HG11 ' A' ' 59' ' ' VAL . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.38 110.706 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 2.7 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 0.8 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.21 110.835 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.84 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 0.91 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.0 108.497 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.522 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 0.5 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 0.73 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 0.37 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.4 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 0.39 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.61 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.507 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.618 -0.593 . . . . 9.84 111.618 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 28.07 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.969 0.414 . . . . 8.62 110.32 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt 57.81 37.9 27.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.352 -0.84 . . . . 9.31 110.61 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 94.02 0.18 Allowed Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.832 -0.699 . . . . 5.55 112.066 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptp -135.72 -0.83 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.67 0.271 . . . . 6.19 110.749 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 24.1 t -62.06 -51.56 73.89 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.509 -0.314 . . . . 2.78 111.178 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 6' ' ' SER . 36.2 Cg_endo -65.88 -17.86 56.58 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.717 1.611 . . . . 1.35 111.968 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.17 -41.1 50.83 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.032 -0.531 . . . . 2.18 110.727 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 0.74 110.126 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 0.6 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 3.56 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 9' ' ' THR . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.49 110.658 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.51 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 1.51 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.72 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 0.32 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.37 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 3.58 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.38 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 0.28 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.36 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 0.35 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.05 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 0.42 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 1.69 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 0.49 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 1.44 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.25 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.08 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.89 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 51' ' ' ILE . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 0.49 110.857 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 0.54 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 0.46 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.91 163.94 53.59 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 0.84 112.636 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.23 114.11 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.679 -0.489 . . . . 2.57 109.679 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.86 -30.62 14.33 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.758 -0.734 . . . . 2.74 112.124 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.45 -162.55 29.32 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 111.359 -0.696 . . . . 2.95 111.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.52 120.22 9.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 5.56 110.612 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.79 67.59 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.903 -0.665 . . . . 3.24 112.443 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -137.18 85.59 21.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 4.97 109.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.95 170.73 14.98 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.892 2.394 . . . . 1.87 112.115 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m -65.44 129.7 40.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 0.89 109.418 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.06 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 0.36 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 2.62 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 0.42 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 0.46 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -118.41 105.82 45.69 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 0.93 110.706 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.44 108.02 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.484 2.123 . . . . 1.67 110.912 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -71.05 113.21 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 5.54 110.925 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.3 -31.24 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 3.83 109.541 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.66 118.91 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.759 -1.11 . . . . 6.04 109.802 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -132.19 13.1 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 6.46 111.048 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.92 -35.53 2.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.349 0.595 . . . . 5.11 109.694 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -117.64 -178.43 3.47 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.493 -0.776 . . . . 5.97 109.959 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 -164.44 41.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 1.94 112.761 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -103.51 154.89 18.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.136 -0.32 . . . . 2.22 110.136 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.04 39.76 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.095 0.474 . . . . 1.16 111.369 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.13 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.08 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.2 109.645 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.32 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.3 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.28 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.494 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 0.75 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.32 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.02 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 0.74 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.4 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 3.96 111.79 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 0.55 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 2.59 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 0.79 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.43 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 0.57 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.63 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 3.71 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.58 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.06 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.64 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 0.48 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.44 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 0.4 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 0.56 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.46 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.22 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 1.52 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 1.58 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 0.41 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 0.35 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.44 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.01 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 0.66 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.35 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.5 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.89 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.38 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 2.7 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.8 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.21 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 0.84 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.91 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.0 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 0.5 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 0.73 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 126' ' ' LEU . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 0.37 110.96 -177.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.494 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 0.39 111.263 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.61 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.929 -0.468 . . . . 9.84 111.929 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.63 31.46 20.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.269 0.557 . . . . 8.62 110.99 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.8 ttm -112.58 -30.35 7.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.613 -0.721 . . . . 9.31 109.994 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.53 -52.64 24.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.723 -0.751 . . . . 5.55 111.424 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -114.5 144.94 42.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.394 -0.595 . . . . 6.19 109.394 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -146.11 73.71 13.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.861 0.362 . . . . 2.78 110.205 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.75 -23.06 69.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.496 2.131 . . . . 1.35 112.262 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 -68.85 -43.76 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 2.18 110.7 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.74 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 0.6 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 3.56 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.49 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.51 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.72 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 0.32 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.37 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 3.58 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.38 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 0.28 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 23' ' ' ARG . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.36 111.001 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.05 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.42 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 1.69 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 0.49 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 1.44 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.08 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 0.49 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 0.89 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 HG12 ' A' ' 51' ' ' ILE . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 0.49 110.119 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 0.54 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 0.46 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 161.3 32.66 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 0.84 113.101 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -87.27 116.17 25.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.039 -0.356 . . . . 2.57 110.039 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.53 122.71 2.01 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.27 -0.732 . . . . 2.74 111.27 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 -103.68 1.22 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.003 -0.618 . . . . 2.95 112.374 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -151.93 145.57 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.606 -0.516 . . . . 5.56 109.606 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.39 38.33 29.17 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.613 -0.803 . . . . 3.24 112.172 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -138.56 90.82 12.64 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 4.97 110.36 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.47 119.0 5.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.756 2.304 . . . . 1.87 112.136 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m -66.19 129.58 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 0.89 111.24 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.06 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 0.36 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 2.62 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 35' ' ' THR . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 0.42 109.157 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.371 -176.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.95 100.51 9.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 0.93 109.989 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 52' ' ' VAL . 3.1 Cg_exo -75.93 55.44 4.43 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.147 2.565 . . . . 1.67 112.526 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.16 98.39 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 5.54 109.899 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.91 176.52 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.471 . . . . 3.83 110.321 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 60.74 50.26 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.225 0.536 . . . . 6.04 110.591 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -119.51 66.47 0.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.34 0.59 . . . . 6.46 109.751 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.46 67.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 5.11 109.666 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -123.25 85.06 2.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.545 -0.752 . . . . 5.97 109.335 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.73 -90.99 1.2 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.536 -1.026 . . . . 1.94 110.536 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -104.25 130.49 52.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.201 -0.666 . . . . 2.22 109.201 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.42 36.43 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.038 0.447 . . . . 1.16 111.085 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.08 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.2 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 0.32 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 0.3 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 68' ' ' LEU . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 0.28 110.687 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 0.75 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.32 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.02 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.74 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 0.4 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 3.96 112.082 -178.345 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 0.55 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 2.59 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.43 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 0.57 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 0.63 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 3.71 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.58 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.06 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 0.48 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 0.44 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 0.4 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 0.56 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.46 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.22 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 1.52 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 1.58 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 0.41 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.35 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.44 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.01 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 0.66 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.35 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.5 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 0.46 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.89 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.38 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 2.7 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 0.8 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.84 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 0.91 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 0.5 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 0.73 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 0.37 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.4 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 0.39 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.61 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.577 -0.609 . . . . 9.84 111.577 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 8.62 110.569 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -99.69 43.98 1.04 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 9.31 110.316 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.04 19.23 12.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 5.55 112.41 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -126.71 103.96 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.809 0.338 . . . . 6.19 110.644 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -127.08 76.88 75.88 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.019 0.437 . . . . 2.78 110.148 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -85.34 117.02 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.605 2.203 . . . . 1.35 112.248 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.36 -35.18 68.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.74 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.6 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 3.56 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.49 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.51 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 1.51 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.72 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 0.32 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.37 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 3.58 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 0.38 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.28 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.05 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.42 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 1.69 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 0.49 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 1.44 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.25 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.08 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 0.49 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 0.89 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 0.49 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 0.54 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.46 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.44 170.87 54.4 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 0.84 112.927 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.567 ' CZ ' ' HA2' ' A' ' 42' ' ' GLY . 86.6 t80 -86.21 113.9 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.94 0.4 . . . . 2.57 110.495 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.1 -29.58 10.22 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.669 -0.777 . . . . 2.74 111.561 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' CZ ' ' A' ' 40' ' ' TYR . . . 97.65 -41.42 2.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.886 -0.673 . . . . 2.95 112.889 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -105.16 72.42 0.99 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.99 0.424 . . . . 5.56 110.037 -174.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.05 22.16 57.89 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.742 -0.742 . . . . 3.24 111.969 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.12 86.96 40.75 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.667 0.27 . . . . 4.97 110.322 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.71 153.84 13.43 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.801 2.334 . . . . 1.87 112.077 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m -75.25 131.73 40.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.791 -0.64 . . . . 0.89 110.608 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 71' ' ' THR . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.06 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 0.36 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 2.62 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 0.42 109.22 175.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 0.46 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 114' ' ' ARG . . . -110.2 107.63 58.66 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 0.93 111.139 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.27 142.85 99.16 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.581 2.187 . . . . 1.67 111.565 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -114.34 129.92 56.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.367 -0.378 . . . . 5.54 110.46 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' GLU . . . -85.03 142.71 29.39 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 3.83 108.565 170.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 3.3 mp0 70.02 141.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.879 0.737 . . . . 6.04 110.28 -173.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -81.03 -28.02 35.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 6.46 111.396 -173.048 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -116.16 132.84 64.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 5.11 111.009 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -139.89 -171.51 3.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.991 -0.744 . . . . 5.97 108.991 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.02 -44.99 90.42 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.3 -0.952 . . . . 1.94 111.102 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -102.1 134.59 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.663 -0.495 . . . . 2.22 109.663 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.09 -8.46 51.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 1.16 111.637 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.13 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.08 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.2 111.874 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 51' ' ' ILE . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.32 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB1' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.3 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 0.28 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 48' ' ' GLN . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 0.75 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.32 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.02 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 0.74 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 0.4 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 3.96 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 0.55 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.622 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 2.59 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 79' ' ' ARG . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 0.79 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.43 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.57 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.63 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 3.71 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.06 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.64 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 0.48 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.4 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 100' ' ' LEU . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 0.56 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.46 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.22 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.52 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 1.58 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.41 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.35 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.01 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 0.66 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.35 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.5 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 0.46 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.89 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.38 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 2.7 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.8 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.21 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 0.84 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 0.91 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.567 177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 0.5 110.872 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 0.73 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 0.37 110.837 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.425 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.4 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 0.39 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.61 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.768 -0.533 . . . . 9.84 111.768 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.47 -41.66 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 8.62 110.899 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.58 ' HB3' ' SD ' ' A' ' 5' ' ' MET . 23.9 mmt -111.11 -84.09 0.57 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 9.31 110.651 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 45.45 35.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 5.55 112.725 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.58 ' SD ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -112.14 19.55 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.186 0.517 . . . . 6.19 110.291 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m 58.29 71.26 1.05 Allowed Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 115.16 -0.927 . . . . 2.78 111.061 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.0 -22.29 73.7 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.56 2.173 . . . . 1.35 111.706 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 12' ' ' ARG . 27.4 t70 -71.72 -39.37 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.508 -0.769 . . . . 2.18 110.111 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 0.74 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.6 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 11' ' ' ARG . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 3.56 111.359 -176.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 8' ' ' ASP . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.49 111.476 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.51 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 1.51 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.72 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 0.32 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.37 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 3.58 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.38 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.28 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.36 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 0.35 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.42 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 1.69 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 0.49 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 1.44 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.25 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.08 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 0.49 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 0.89 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 51' ' ' ILE . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 0.49 110.811 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 0.46 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.8 173.16 24.36 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 0.84 113.672 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -75.34 127.12 32.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.406 . . . . 2.57 110.214 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.04 -113.45 2.82 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.939 -0.648 . . . . 2.74 111.817 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.63 -66.82 1.14 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.756 -0.735 . . . . 2.95 112.388 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -144.85 143.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.701 -0.294 . . . . 5.56 110.997 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.42 95.37 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.753 -0.658 . . . . 3.24 113.231 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -136.1 76.09 52.3 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 122.661 -0.317 . . . . 4.97 110.198 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.87 146.22 87.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.018 2.479 . . . . 1.87 112.01 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m -82.07 130.06 34.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.89 111.101 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.06 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 0.36 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 2.62 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 68' ' ' LEU . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 0.42 109.125 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.463 HG22 ' ND2' ' A' ' 67' ' ' ASN . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 0.46 110.517 -175.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.99 95.01 36.51 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 0.93 109.558 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.97 159.87 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.428 2.085 . . . . 1.67 112.467 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.6 m80 68.41 24.54 7.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.448 -0.796 . . . . 5.54 110.803 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.36 123.34 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.079 -0.51 . . . . 3.83 110.166 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.92 123.42 21.98 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.61 -0.515 . . . . 6.04 109.61 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -123.77 43.36 2.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 6.46 110.902 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.3 t -81.99 -50.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 5.11 110.601 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.68 154.29 45.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 5.97 110.049 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.6 -115.01 5.1 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.984 -0.846 . . . . 1.94 110.984 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -104.66 123.1 47.0 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.077 -0.712 . . . . 2.22 109.077 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.47 20.27 11.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.941 0.401 . . . . 1.16 111.207 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.08 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.2 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.463 ' ND2' HG22 ' A' ' 52' ' ' VAL . 25.4 t-20 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 51' ' ' ILE . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.32 109.558 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 0.3 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.28 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.604 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 0.75 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.32 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.02 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 0.74 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.4 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.534 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 3.96 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 0.55 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 2.59 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.79 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.43 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 0.57 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 0.63 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 3.71 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.58 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 0.64 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.48 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 0.44 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 0.4 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 0.56 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.46 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.22 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 1.52 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 1.58 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 0.41 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.44 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.01 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 0.66 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.35 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.5 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 0.46 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.89 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.38 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 2.7 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 0.8 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 25.4 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.21 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 0.84 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 0.91 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 -175.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 0.5 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 0.73 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 0.37 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.604 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.4 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 123' ' ' LEU . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.39 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.61 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.771 -0.532 . . . . 9.84 111.771 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.24 43.28 20.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.157 0.503 . . . . 8.62 111.282 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.9 mmm -79.16 -30.39 43.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 9.31 110.113 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 47.92 3.75 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.235 -0.746 . . . . 5.55 111.235 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.5 ttm -145.23 122.19 11.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.397 . . . . 6.19 109.979 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -135.63 127.42 17.53 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.726 0.298 . . . . 2.78 110.281 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -69.29 -14.59 37.83 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.551 2.167 . . . . 1.35 112.284 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -29.98 58.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 0.74 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.6 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 3.56 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.49 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.51 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 1.51 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.72 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 0.32 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.37 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 0.38 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 0.28 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.36 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.35 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 0.42 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 1.69 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 1.44 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.25 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.08 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 0.49 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 0.89 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 0.49 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 0.54 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 0.46 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.61 169.55 49.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 0.84 112.387 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -73.36 113.63 10.66 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.609 -0.515 . . . . 2.57 109.609 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.35 52.58 0.64 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.887 -0.673 . . . . 2.74 112.096 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.71 171.73 45.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.921 -0.657 . . . . 2.95 111.761 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 76.6 m80 -72.7 108.41 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.245 0.545 . . . . 5.56 109.92 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.72 -15.78 5.93 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.173 -0.922 . . . . 3.24 110.835 -173.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -124.88 79.03 64.87 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.601 -0.518 . . . . 4.97 109.601 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.24 147.34 29.34 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.076 2.517 . . . . 1.87 112.073 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.469 HG21 ' HA ' ' A' ' 14' ' ' ASP . 12.0 m -60.61 132.93 55.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 0.89 110.748 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.06 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 0.36 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.62 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 HG22 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 0.42 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 0.46 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 93.26 20.68 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.93 110.342 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.94 70.66 6.67 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.531 2.154 . . . . 1.67 111.865 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -137.87 57.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.911 -0.586 . . . . 5.54 110.532 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.81 -1.91 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.975 -0.557 . . . . 3.83 110.197 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.44 -34.32 66.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.026 -0.988 . . . . 6.04 111.078 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -145.92 88.6 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 6.46 110.393 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.21 79.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.374 0.607 . . . . 5.11 110.542 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -93.74 -6.04 47.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 5.97 111.238 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.51 -94.89 1.02 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.732 -0.947 . . . . 1.94 110.732 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -103.71 124.11 48.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.235 -0.654 . . . . 2.22 109.235 172.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.35 49.33 1.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.372 0.606 . . . . 1.16 110.067 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.13 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.08 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.2 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 51' ' ' ILE . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 0.32 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 0.3 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 0.75 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.32 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.02 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.74 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 0.4 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 3.96 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 0.55 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 2.59 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 0.79 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.43 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 0.57 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.63 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 3.71 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.58 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.06 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.64 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.48 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.44 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 0.4 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 0.56 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.46 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.22 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 1.52 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 1.58 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 0.41 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.35 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.44 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.01 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 0.66 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.35 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.5 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 0.46 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.89 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.38 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 2.7 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 0.8 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.21 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.84 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 0.91 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 0.5 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 0.73 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.37 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.4 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.39 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.61 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.935 -0.466 . . . . 9.84 111.935 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.54 -18.98 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.634 0.235 . . . . 8.62 111.634 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 69.77 -53.92 0.61 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.534 0.733 . . . . 9.31 111.661 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 -141.95 7.7 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.378 -0.689 . . . . 5.55 111.378 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mmt 55.88 38.0 29.51 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.844 0.354 . . . . 6.19 111.474 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -100.62 98.26 7.89 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.223 -0.658 . . . . 2.78 109.223 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.83 -35.47 78.43 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.593 2.195 . . . . 1.35 112.819 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 -74.0 -42.75 59.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.991 -0.284 . . . . 2.18 110.469 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 0.74 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 0.6 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 3.56 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.659 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.49 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.51 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 1.51 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.72 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 0.32 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.37 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 3.58 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 0.38 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 0.28 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.36 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.35 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.42 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 1.69 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 0.49 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 1.44 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.25 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.08 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 0.49 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 0.89 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 0.49 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 48' ' ' GLN . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.46 109.013 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.67 170.66 40.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 0.84 113.683 -171.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -86.35 142.36 28.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.292 -0.454 . . . . 2.57 110.481 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.36 -169.82 12.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.853 -0.689 . . . . 2.74 111.658 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -15.44 78.34 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.956 -0.64 . . . . 2.95 112.272 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -91.81 176.65 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.741 0.305 . . . . 5.56 110.296 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.84 58.16 3.49 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.65 -0.58 . . . . 3.24 111.65 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -98.31 120.51 59.38 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.109 -0.33 . . . . 4.97 110.109 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.64 140.32 51.29 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.78 2.32 . . . . 1.87 112.121 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -95.05 122.61 37.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.325 -0.398 . . . . 0.89 110.324 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.087 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 0.36 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 2.62 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 68' ' ' LEU . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 0.42 108.968 174.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 0.46 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -128.3 91.76 43.23 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 0.93 110.392 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -73.79 59.25 4.19 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.905 2.403 . . . . 1.67 111.251 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -125.44 63.42 1.18 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.838 -0.619 . . . . 5.54 109.877 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.51 59.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 3.83 111.048 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -76.12 73.83 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.545 . . . . 6.04 110.975 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -143.28 100.82 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.234 -0.439 . . . . 6.46 110.001 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.17 152.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 5.11 111.215 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 62.14 38.88 13.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.6 -0.727 . . . . 5.97 111.014 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.06 -157.71 7.5 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.55 -0.62 . . . . 1.94 111.55 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.81 127.35 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.329 . . . . 2.22 110.602 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.08 59.92 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.017 -0.538 . . . . 1.16 111.055 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.13 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.08 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.2 110.434 -175.201 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 0.32 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 0.3 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.28 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.555 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 0.75 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.32 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.02 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 0.74 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.4 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 3.96 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 0.55 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.659 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 2.59 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 0.79 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.43 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 0.57 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 3.71 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.58 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.06 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.64 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.48 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.44 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 0.4 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 0.56 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.46 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.22 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 1.52 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 1.58 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 0.41 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 0.35 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.44 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.01 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.35 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.5 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 0.46 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.89 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.38 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 2.7 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.8 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 25.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.21 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.84 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 0.91 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.0 108.936 -176.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 0.5 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 0.73 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.37 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.555 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.4 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 0.39 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.61 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.317 -0.313 . . . . 9.84 112.317 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.96 132.35 35.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.633 0.254 . . . . 8.62 110.626 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -157.72 -172.99 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.304 -0.407 . . . . 9.31 110.19 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.61 -82.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.882 -0.675 . . . . 5.55 111.597 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.9 mtm -109.85 112.7 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.123 -0.695 . . . . 6.19 109.123 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -127.51 75.94 77.16 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.885 0.374 . . . . 2.78 111.478 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.0 -35.4 76.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.649 2.233 . . . . 1.35 112.05 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.93 -46.74 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 2.18 110.261 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.528 HG22 HG22 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.74 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 0.6 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 3.56 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.49 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.72 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 0.32 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.37 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 3.58 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.38 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.28 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.36 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 0.35 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.05 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.42 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.69 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 1.44 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.25 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.08 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 0.49 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 0.89 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 51' ' ' ILE . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 0.49 110.815 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.54 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 0.46 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.2 155.85 33.27 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 0.84 112.575 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.39 123.63 18.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 2.57 110.662 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.2 117.44 2.98 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.717 -0.754 . . . . 2.74 112.764 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.22 -110.1 1.62 Allowed Glycine 0 C--N 1.332 0.32 0 O-C-N 123.771 0.336 . . . . 2.95 113.119 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -146.31 117.63 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.21 -0.663 . . . . 5.56 109.21 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.0 -4.81 23.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.69 -0.767 . . . . 3.24 111.915 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -114.13 87.41 13.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.818 -0.438 . . . . 4.97 109.818 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.25 142.23 26.88 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.574 2.183 . . . . 1.87 112.173 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m -60.38 132.47 54.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.715 -0.675 . . . . 0.89 110.33 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.06 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 0.36 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 2.62 110.935 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 68' ' ' LEU . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 0.42 108.789 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.56 100.25 28.96 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 0.93 109.293 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.32 99.49 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.778 2.319 . . . . 1.67 111.781 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 83.3 t60 -140.29 76.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.174 0.511 . . . . 5.54 110.886 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.52 20.27 5.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.109 0.957 . . . . 3.83 108.627 170.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 17.1 mt-10 -85.59 140.82 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.246 -1.343 . . . . 6.04 110.589 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -101.8 21.35 14.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.283 -0.417 . . . . 6.46 110.961 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -125.02 83.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.555 -0.293 . . . . 5.11 110.796 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -176.92 -58.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.143 0.497 . . . . 5.97 110.463 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.3 -76.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.355 -0.698 . . . . 1.94 111.355 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -102.57 129.68 49.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.379 -0.601 . . . . 2.22 109.379 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.75 37.29 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.218 0.532 . . . . 1.16 110.702 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.13 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.08 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.2 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 38.5 t-20 -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 51' ' ' ILE . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 0.32 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 0.3 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.28 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.616 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 0.75 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.32 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.02 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 0.74 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.528 HG22 HG22 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 0.4 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 3.96 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 0.55 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 2.59 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 0.79 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.43 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 0.57 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.63 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 88' ' ' ARG . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 3.71 109.626 178.056 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.58 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.555 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.06 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 0.64 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.48 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 0.44 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.4 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 0.56 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.46 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.22 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 1.52 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 1.58 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.41 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.44 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.01 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 0.66 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.35 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.5 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.89 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.38 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 2.7 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 55' ' ' HIS . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.8 111.26 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.21 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 0.84 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 0.91 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 0.5 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 0.73 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.37 111.118 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.616 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.437 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.4 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 0.39 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.61 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.555 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.834 -0.506 . . . . 9.84 111.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 13.63 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.949 0.404 . . . . 8.62 111.278 -177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.5 tpt -132.06 141.65 49.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 9.31 110.143 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.52 -53.11 1.31 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.926 -0.654 . . . . 5.55 111.536 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.469 ' HG2' ' HD3' ' A' ' 7' ' ' PRO . 53.6 ttp -147.68 113.08 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.824 -0.435 . . . . 6.19 109.824 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -130.67 72.52 81.83 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.851 0.358 . . . . 2.78 110.907 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' HG2' ' A' ' 5' ' ' MET . 72.4 Cg_endo -84.85 -23.2 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.356 2.038 . . . . 1.35 112.843 -175.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.49 -39.71 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 2.18 110.674 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.74 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.6 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 3.56 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.49 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.51 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 1.51 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.72 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 0.32 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.37 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 3.58 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 0.38 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 0.28 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.36 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 0.35 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.05 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.42 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 1.69 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.49 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 1.44 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.25 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.08 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 0.49 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 0.89 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 0.49 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 0.54 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 0.46 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.21 160.41 42.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 0.84 113.03 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -68.48 132.37 46.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.93 0.395 . . . . 2.57 110.822 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.27 119.17 6.09 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.108 -0.797 . . . . 2.74 111.108 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.1 -19.79 70.39 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 121.362 -0.447 . . . . 2.95 113.684 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -75.45 -27.78 59.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 5.56 110.369 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.9 48.71 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.363 -0.922 . . . . 3.24 112.778 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.35 105.4 21.68 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.939 -0.393 . . . . 4.97 109.939 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.32 145.63 92.73 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.943 2.429 . . . . 1.87 111.988 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -62.29 144.38 55.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.662 -0.699 . . . . 0.89 110.364 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.06 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.36 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 2.62 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 0.42 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.57 97.87 49.61 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.475 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -73.67 125.53 10.1 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.185 1.924 . . . . 1.67 111.703 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -130.37 -16.49 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 5.54 111.163 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.57 -80.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.881 0.738 . . . . 3.83 112.033 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.29 159.63 19.37 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.75 -0.463 . . . . 6.04 109.75 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -140.23 65.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 6.46 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -61.11 108.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.783 -0.644 . . . . 5.11 110.147 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 63.18 25.85 15.01 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.699 -0.682 . . . . 5.97 110.382 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.13 162.13 14.96 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.035 -0.602 . . . . 1.94 111.795 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -67.47 142.46 56.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 2.22 110.644 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.95 45.52 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.539 0.685 . . . . 1.16 110.153 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.13 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.08 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.2 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 51' ' ' ILE . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 0.32 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 0.3 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 0.28 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 0.75 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.32 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.02 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 0.74 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.4 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 3.96 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.55 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 2.59 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 0.79 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.43 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 0.57 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.63 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 3.71 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.58 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.06 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.64 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.48 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.44 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 0.4 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 0.56 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.46 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.22 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 1.52 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 1.58 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 0.41 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.35 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.44 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.01 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 0.66 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.35 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.5 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 0.46 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.89 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.38 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 2.7 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.8 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.21 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 0.84 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 0.91 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 0.5 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 0.73 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 0.37 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.423 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.4 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 0.39 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.61 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.806 -0.517 . . . . 9.84 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.07 70.24 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.512 . . . . 8.62 110.823 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -82.41 19.68 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 9.31 111.216 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -15.18 55.63 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.642 -0.789 . . . . 5.55 111.244 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.95 25.12 2.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.237 0.541 . . . . 6.19 109.754 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -64.76 117.4 38.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.503 -0.771 . . . . 2.78 111.327 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.34 -34.35 77.47 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.466 2.11 . . . . 1.35 112.207 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -63.02 -52.91 61.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 2.18 110.402 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 0.74 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.6 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 3.56 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.49 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.51 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 1.51 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.72 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 0.32 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.37 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 3.58 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.38 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 0.28 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.36 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.35 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.05 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.42 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 1.69 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 1.44 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.25 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.08 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 0.49 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 0.89 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.576 HG22 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 0.49 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 0.54 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.46 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.44 167.79 54.63 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 0.84 112.213 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -65.77 121.11 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.726 -0.472 . . . . 2.57 109.726 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.9 98.12 1.08 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.586 -0.816 . . . . 2.74 112.899 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.2 -91.11 0.23 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.402 -0.428 . . . . 2.95 112.655 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -160.95 140.25 10.46 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 5.56 109.056 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.3 81.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.495 -0.859 . . . . 3.24 111.876 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.0 90.21 32.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.248 -0.279 . . . . 4.97 110.248 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.91 150.03 54.51 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.897 2.398 . . . . 1.87 111.465 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -60.33 133.51 56.16 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.264 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 0.36 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 2.62 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 0.42 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 0.46 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.22 99.52 24.05 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.93 110.749 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -83.76 -172.02 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.498 2.132 . . . . 1.67 111.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 56.3 48.09 17.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.599 . . . . 5.54 110.09 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.1 80.2 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.667 -0.697 . . . . 3.83 109.808 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.05 -39.84 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 6.04 110.109 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -103.18 75.72 1.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.761 -0.654 . . . . 6.46 110.095 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.0 t -121.62 100.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.08 0.467 . . . . 5.11 111.07 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -130.51 75.31 1.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.347 -0.612 . . . . 5.97 109.347 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.07 -95.0 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 1.94 111.467 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -97.77 123.55 41.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.152 -0.685 . . . . 2.22 109.152 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.79 45.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.154 0.502 . . . . 1.16 111.434 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.13 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.08 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 0.32 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.3 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 0.75 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.32 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.02 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 0.74 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.4 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.472 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 3.96 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 0.55 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 2.59 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 0.79 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.43 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.57 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.63 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 3.71 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.58 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.06 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.64 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 0.48 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 0.44 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.4 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 0.56 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.46 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.22 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 1.52 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 1.58 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.41 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 0.35 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.44 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.01 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 0.66 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.35 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.5 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 0.46 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.89 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.38 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 2.7 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 0.8 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.21 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.84 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 0.91 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 0.5 111.143 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.73 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 0.37 111.348 -175.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.4 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.39 111.153 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.427 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.61 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.966 -0.454 . . . . 9.84 111.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.28 126.28 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.892 -0.181 . . . . 8.62 110.521 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 mmt 59.4 50.48 7.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.671 0.607 . . . . 9.31 110.974 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.3 40.58 2.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 5.55 111.703 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.6 mtm -84.81 -56.47 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.434 -0.21 . . . . 6.19 110.434 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t 60.35 77.3 0.38 Allowed Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 115.797 -0.638 . . . . 2.78 110.372 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.92 -21.4 70.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.405 2.07 . . . . 1.35 112.107 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 -67.17 -43.69 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 2.18 110.452 176.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 0.74 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 0.6 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 3.56 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.49 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.51 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 1.51 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.72 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.37 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 3.58 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.38 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 0.28 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.36 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 1.69 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 0.49 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 1.44 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.08 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 0.49 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 0.89 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 0.49 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 0.54 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 0.46 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . -73.41 160.35 53.73 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 0.84 113.178 -174.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 46' ' ' PRO . 30.3 t80 -66.02 113.4 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.151 -0.685 . . . . 2.57 109.151 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 -23.69 25.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.591 -0.814 . . . . 2.74 112.558 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 173.82 46.65 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.003 -0.839 . . . . 2.95 111.003 -175.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 55.08 45.88 25.28 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.505 0.669 . . . . 5.56 110.453 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.12 33.73 35.35 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.716 -0.674 . . . . 3.24 112.952 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -129.23 90.92 43.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.662 0.268 . . . . 4.97 110.489 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 Cg_exo -79.92 160.72 24.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.441 2.761 . . . . 1.87 112.459 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m -66.06 141.95 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.888 -0.596 . . . . 0.89 110.666 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 0.36 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 2.62 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 0.42 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 0.46 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 101.23 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 0.93 109.996 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.33 -1.64 11.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.578 2.185 . . . . 1.67 113.018 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -143.3 126.37 16.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.944 -0.391 . . . . 5.54 109.944 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.33 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.463 -0.335 . . . . 3.83 110.615 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 58' ' ' HIS . 32.3 tt0 -89.47 171.01 10.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.338 -0.392 . . . . 6.04 110.037 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.501 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 15.4 p-80 -78.68 29.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.381 0.511 . . . . 6.46 112.381 -175.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.432 ' HB ' ' OG ' ' A' ' 113' ' ' SER . 43.9 t -132.06 82.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.04 -0.726 . . . . 5.11 109.04 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -91.68 47.95 1.41 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.877 -0.601 . . . . 5.97 111.25 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.06 -58.21 14.75 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.931 -0.868 . . . . 1.94 110.931 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -103.24 135.23 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.468 -0.567 . . . . 2.22 109.468 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.75 47.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.261 0.553 . . . . 1.16 110.916 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.13 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.08 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.2 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HG13 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 0.32 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 0.3 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 0.28 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.455 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.75 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.32 111.015 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.02 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 0.74 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 3.96 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.55 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 2.59 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 0.79 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.43 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.57 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 0.63 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 3.71 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.58 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.06 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.64 109.803 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.48 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.44 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 0.4 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 0.56 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.46 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.22 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.715 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 1.58 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 0.41 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.35 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.44 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.715 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.01 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 0.66 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.35 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.5 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 0.46 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.89 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.432 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.38 110.88 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 2.7 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 0.8 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.21 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.84 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 0.91 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 0.5 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 0.73 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 0.37 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.455 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.4 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.39 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.53 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.61 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.159 -0.377 . . . . 9.84 112.159 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.7 13.65 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 8.62 110.501 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 ptm -80.01 164.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.925 -0.58 . . . . 9.31 110.254 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.78 36.93 46.37 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.698 -0.763 . . . . 5.55 111.362 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.2 mtt -143.45 -61.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.125 -0.324 . . . . 6.19 110.125 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m 54.14 55.87 12.35 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.655 -0.702 . . . . 2.78 111.433 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.97 -27.16 7.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.238 1.958 . . . . 1.35 111.849 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.6 -36.14 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 2.18 109.876 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 0.74 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 0.6 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 3.56 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.49 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.51 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 1.51 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.72 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 0.32 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.37 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 3.58 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.38 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.28 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.36 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.35 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.05 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 0.42 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 1.69 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 0.49 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 1.44 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.25 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.08 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.49 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 0.89 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 0.49 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.54 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 0.46 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . -83.93 145.6 22.63 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 0.84 113.338 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.431 ' OH ' ' HA ' ' A' ' 43' ' ' HIS . 54.2 t80 -74.57 122.9 23.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.508 -0.553 . . . . 2.57 109.508 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.77 -110.79 3.19 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.612 -0.804 . . . . 2.74 111.858 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.84 -53.7 6.24 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.576 -0.821 . . . . 2.95 111.791 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 2.2 t-80 -177.43 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 5.56 110.051 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.14 83.17 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.763 -0.653 . . . . 3.24 114.003 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -102.36 109.71 61.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.268 0.534 . . . . 4.97 110.944 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.03 140.68 14.35 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.741 2.294 . . . . 1.87 111.773 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 40' ' ' TYR . 54.7 m -60.67 137.81 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.89 111.309 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.06 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 0.36 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 2.62 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 0.42 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . . . -114.25 115.37 45.14 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 0.93 110.401 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' ALA . 9.5 Cg_exo -70.15 69.78 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.653 2.235 . . . . 1.67 112.054 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -109.39 94.86 5.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.957 -0.565 . . . . 5.54 110.041 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.71 150.59 47.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 3.83 110.428 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -87.98 120.36 29.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.142 -0.688 . . . . 6.04 109.142 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -146.17 66.01 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.496 . . . . 6.46 110.712 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.0 t 74.97 -58.18 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.294 -0.866 . . . . 5.11 112.158 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -91.41 139.43 30.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.355 -0.239 . . . . 5.97 110.355 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.04 -174.3 28.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.074 -0.584 . . . . 1.94 111.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -92.22 146.86 23.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.95 -0.389 . . . . 2.22 109.95 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.94 35.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.072 0.463 . . . . 1.16 111.099 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.13 110.155 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.08 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.2 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 51' ' ' ILE . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.32 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.3 110.808 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 0.28 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 0.75 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.32 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.509 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.02 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 0.74 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 0.4 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 3.96 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 0.55 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 2.59 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 0.79 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.43 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.57 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.63 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 3.71 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.58 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.06 110.562 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.64 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.48 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 0.44 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.4 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 0.56 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.46 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.22 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 1.52 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 1.58 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 0.41 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 0.35 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.44 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.01 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 0.66 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.35 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.5 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 0.46 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.89 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.38 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 2.7 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 0.8 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.21 109.729 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 0.84 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.91 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 0.5 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 69' ' ' ALA . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 0.73 108.811 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 126' ' ' LEU . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 0.37 109.841 -174.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . 0.509 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 0.39 111.181 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.61 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.308 -0.317 . . . . 9.84 112.308 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 8.62 111.682 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptm -89.26 14.84 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.925 0.393 . . . . 9.31 110.957 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.08 12.62 6.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.879 -0.677 . . . . 5.55 111.897 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -116.97 26.72 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.443 0.64 . . . . 6.19 110.311 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -140.03 62.21 20.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 2.78 110.565 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.09 -35.77 24.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.324 2.016 . . . . 1.35 111.996 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.59 -51.17 68.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.523 . . . . 2.18 110.904 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 0.74 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.6 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 3.56 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.49 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.51 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 1.51 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.72 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 0.32 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.37 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 3.58 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.38 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.36 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.35 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.42 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 1.69 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.49 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 1.44 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.25 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.08 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 0.49 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 0.89 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.445 HG22 HG12 ' A' ' 51' ' ' ILE . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 0.49 111.006 -175.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 0.54 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 0.46 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.6 -176.26 47.08 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 0.84 112.527 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -70.04 114.15 7.93 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 2.57 109.174 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.53 72.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.661 -0.781 . . . . 2.74 112.665 -173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.94 -62.86 3.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.192 -0.528 . . . . 2.95 112.251 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -148.45 -29.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.577 -0.527 . . . . 5.56 109.577 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.07 -157.44 25.18 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.621 -0.718 . . . . 3.24 111.55 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.94 89.98 0.1 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.712 0.405 . . . . 4.97 110.588 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 20.4 Cg_endo -61.32 129.06 26.88 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.413 2.075 . . . . 1.87 111.663 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m -67.06 124.36 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.89 111.134 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.06 109.496 -176.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 0.36 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 2.62 110.18 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 HD23 ' A' ' 68' ' ' LEU . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 0.42 109.69 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 0.46 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -123.13 104.93 34.78 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 0.93 111.215 -176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -87.03 136.61 4.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.649 2.233 . . . . 1.67 110.825 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -97.89 87.45 4.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.246 0.546 . . . . 5.54 111.144 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.484 0.659 . . . . 3.83 109.493 173.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -70.83 140.74 51.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.037 -0.983 . . . . 6.04 108.949 172.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -80.87 60.97 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.486 0.66 . . . . 6.46 110.902 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.18 76.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.213 -0.903 . . . . 5.11 108.937 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -77.4 75.05 3.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.372 -0.831 . . . . 5.97 110.167 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.43 -76.55 1.28 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.507 -0.77 . . . . 1.94 111.65 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.08 136.92 42.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.851 -0.425 . . . . 2.22 109.851 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 50.12 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 1.16 111.365 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.13 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.08 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 51' ' ' ILE . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 0.32 109.619 -170.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 0.3 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.28 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.595 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 0.75 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.32 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.02 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.74 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 0.4 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 3.96 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 0.55 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 2.59 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.79 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.43 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 0.57 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 0.63 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 3.71 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.58 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.06 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 0.48 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 0.44 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 0.4 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 0.56 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.46 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.22 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 1.52 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 1.58 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 0.41 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 0.35 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.44 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.01 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 0.66 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.35 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.5 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 0.46 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.89 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.38 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 2.7 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 0.8 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.21 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.84 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.91 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 0.5 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 0.73 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.37 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.595 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.4 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 0.39 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.61 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.177 -0.369 . . . . 9.84 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.23 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 8.62 111.047 -178.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.5 ttm -74.12 -8.2 55.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.433 0.635 . . . . 9.31 110.374 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -0.88 89.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.914 -0.66 . . . . 5.55 112.768 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.504 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 ppp? -73.36 -13.69 61.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.867 0.333 . . . . 6.19 111.18 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -103.95 92.7 4.65 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 2.78 109.756 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 5' ' ' MET . 90.1 Cg_endo -90.53 7.39 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.716 2.277 . . . . 1.35 113.529 -174.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.07 -43.74 73.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 0.74 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 3.56 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.49 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.51 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 1.51 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.72 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 0.32 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.37 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 3.58 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.38 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 0.28 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.36 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.42 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 1.69 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.49 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 1.44 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.25 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 32' ' ' ARG . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.08 109.413 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 0.49 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 0.89 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 0.49 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 0.54 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.46 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.18 175.59 55.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 0.84 113.351 -172.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.22 113.16 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 2.57 110.128 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.99 91.44 0.28 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.849 -0.691 . . . . 2.74 111.526 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.63 153.26 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.68 -0.771 . . . . 2.95 111.444 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -66.15 148.19 52.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.288 -0.264 . . . . 5.56 110.288 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.56 20.42 61.99 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.834 -0.698 . . . . 3.24 112.301 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.74 88.34 54.39 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.367 -0.234 . . . . 4.97 110.367 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.51 130.55 26.96 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.485 2.123 . . . . 1.87 112.319 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.71 137.89 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.89 109.925 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.417 ' HB3' HG22 ' A' ' 71' ' ' THR . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.06 110.538 -173.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 0.36 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 2.62 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 0.42 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 0.46 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.94 101.56 26.17 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 0.93 110.46 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.45 48.18 2.8 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.749 2.299 . . . . 1.67 112.031 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -145.75 75.23 1.41 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.014 -0.539 . . . . 5.54 109.633 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.34 -3.73 44.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 3.83 111.245 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.73 60.75 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.425 0.631 . . . . 6.04 109.437 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -151.03 51.04 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.836 -0.802 . . . . 6.46 108.836 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.87 87.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.456 -0.793 . . . . 5.11 110.838 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -118.82 -5.52 10.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.994 -0.743 . . . . 5.97 108.994 172.084 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.27 -62.02 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.392 -0.822 . . . . 1.94 111.745 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -105.02 143.31 33.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.312 -0.255 . . . . 2.22 110.312 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.03 42.57 1.6 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.581 . . . . 1.16 110.514 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.08 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.2 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 0.32 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 0.28 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.581 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 0.75 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.32 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 0.74 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 0.4 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 3.96 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 0.55 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 2.59 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.79 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.43 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.57 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.63 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 3.71 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.58 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.06 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.64 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.48 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.44 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.4 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 0.56 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.46 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.22 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 1.52 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 1.58 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 0.41 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 0.35 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.01 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 0.66 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.35 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.5 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 0.46 109.331 -175.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.89 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.38 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 2.7 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 0.8 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.21 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.84 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 0.91 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.0 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 0.5 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 0.73 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 0.37 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.581 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.4 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 0.39 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.61 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.823 -0.511 . . . . 9.84 111.823 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.01 168.06 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 0.227 . . . . 8.62 110.592 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt 61.9 33.81 17.3 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.765 0.666 . . . . 9.31 110.8 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.74 161.62 21.16 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.267 -0.733 . . . . 5.55 111.267 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -98.38 113.66 25.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.493 0.664 . . . . 6.19 110.706 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.559 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 51.0 m -151.79 -57.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 2.78 110.99 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' A' ' 6' ' ' SER . 31.7 Cg_endo -63.88 -20.64 68.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 121.82 1.68 . . . . 1.35 111.919 177.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 -84.94 -35.99 21.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.436 -0.802 . . . . 2.18 109.93 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 0.74 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 0.6 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 3.56 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.49 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.51 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.51 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.72 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 0.32 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.37 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 3.58 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.38 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 0.28 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.36 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.35 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.05 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 0.42 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 1.69 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.49 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 1.44 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.25 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.08 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 0.49 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 0.89 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 0.49 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 0.54 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 0.46 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.545 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . -96.96 -150.19 26.5 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 0.84 112.755 -174.227 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 54.9 t80 -86.55 113.25 22.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 2.57 110.639 -175.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.59 7.21 1.97 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.005 -0.617 . . . . 2.74 111.83 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.13 -49.96 0.85 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.973 -0.632 . . . . 2.95 111.867 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -80.37 -45.12 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.39 0.614 . . . . 5.56 109.387 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 40' ' ' TYR . . . -94.77 112.48 4.38 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.194 -0.912 . . . . 3.24 111.411 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 33.2 t60 -88.62 -48.3 0.43 Allowed Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 120.959 -0.296 . . . . 4.97 110.287 177.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 45' ' ' HIS . 9.8 Cg_endo -91.85 127.85 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.308 2.005 . . . . 1.87 111.012 172.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.429 HG23 ' HA2' ' A' ' 39' ' ' GLY . 17.0 m -64.87 139.16 58.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.774 0.321 . . . . 0.89 110.984 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.06 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 0.36 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 2.62 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 0.42 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . -105.88 103.34 43.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 0.93 111.078 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.63 143.91 27.65 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.377 2.052 . . . . 1.67 111.592 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 58.58 52.9 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 5.54 110.944 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.73 55.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.491 0.662 . . . . 3.83 110.047 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.61 178.47 4.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.1 -0.954 . . . . 6.04 110.595 -175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.8 t60 60.58 56.29 3.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.84 0.828 . . . . 6.46 109.133 -173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' H ' ' A' ' 61' ' ' GLY . 7.3 p -148.21 134.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.374 -0.83 . . . . 5.11 109.801 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -125.48 30.54 5.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.323 0.582 . . . . 5.97 110.539 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 59' ' ' VAL . . . -105.31 -82.59 1.58 Allowed Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.556 -0.747 . . . . 1.94 111.519 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -104.2 141.97 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.128 -0.694 . . . . 2.22 109.128 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.49 48.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.987 0.422 . . . . 1.16 110.744 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.13 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.08 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.2 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 0.32 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 0.3 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.32 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.02 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 0.74 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 127' ' ' ASP . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 3.96 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 0.55 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 2.59 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 0.79 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.43 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 0.57 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 0.63 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 3.71 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.58 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.06 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.64 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 0.48 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.44 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.4 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 0.56 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.46 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.22 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 1.52 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 1.58 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 0.41 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 0.35 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.44 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 0.66 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.35 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.5 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 0.46 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.89 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.38 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 2.7 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.463 HG21 HG21 ' A' ' 59' ' ' VAL . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.8 110.545 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.21 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.84 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 0.5 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 0.73 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 0.37 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.4 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 0.39 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . 0.528 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.61 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 CA--C 1.522 -0.134 0 N-CA-C 109.302 -0.629 . . . . 2.18 109.302 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.42 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 0.74 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 0.6 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 3.56 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.49 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 1.51 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.72 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 0.32 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.37 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 3.58 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 25' ' ' ILE . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.38 110.275 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 0.28 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.36 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 0.35 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 51' ' ' ILE . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.931 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.42 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 1.69 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.49 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 1.44 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.08 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 0.49 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 0.89 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 HG12 ' A' ' 51' ' ' ILE . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 0.49 110.755 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.54 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 0.46 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 0.84 112.845 -175.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m . . . . . 0 N--CA 1.451 -0.396 0 CA-C-O 120.925 0.393 . . . . 0.89 110.512 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.06 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 0.36 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 2.62 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 0.93 110.443 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.944 0.402 . . . . 1.16 111.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.08 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.2 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.433 HD22 HD11 ' A' ' 120' ' ' LEU . 3.5 t30 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.58 HD23 HD12 ' A' ' 51' ' ' ILE . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 0.32 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 0.3 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.28 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 0.75 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.32 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.02 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 0.74 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 0.4 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.545 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 3.96 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 0.55 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG2' ' HD3' ' A' ' 12' ' ' ARG . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 2.59 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 0.79 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.43 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.57 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 0.63 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.521 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 3.71 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.58 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.06 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.64 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.48 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 0.44 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 0.4 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 0.56 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.46 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.22 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 1.52 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 1.58 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 0.41 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.35 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.44 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.01 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 0.66 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.35 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.5 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 0.46 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.89 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.38 110.706 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 2.7 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 0.8 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.608 HE22 HG12 ' A' ' 121' ' ' VAL . 4.1 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.21 110.835 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.84 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 0.91 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 HD22 ' A' ' 67' ' ' ASN . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.0 108.497 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.608 HG12 HE22 ' A' ' 116' ' ' GLN . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 0.5 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 0.73 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 0.37 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.4 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 0.39 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.61 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.507 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.222 -0.354 0 CA-C-O 120.472 0.177 . . . . 2.18 110.727 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 0.74 110.126 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 0.6 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 3.56 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 9' ' ' THR . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.49 110.658 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.51 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 1.51 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.72 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 0.32 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.37 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 3.58 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.38 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 0.28 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.36 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 0.35 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.05 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 0.42 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 1.69 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 0.49 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 1.44 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.25 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.08 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.89 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 51' ' ' ILE . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 0.49 110.857 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 0.54 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 0.46 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 0.84 112.636 -175.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 0.89 109.418 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.06 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 0.36 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 2.62 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 0.42 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 0.46 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 0.93 110.706 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 121.095 0.474 . . . . 1.16 111.369 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.13 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.08 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.2 109.645 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.32 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.3 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.28 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.494 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 0.75 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.32 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.02 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 0.74 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.4 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 3.96 111.79 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 0.55 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 2.59 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 0.79 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.43 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 0.57 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.63 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 3.71 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.58 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.06 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.64 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 0.48 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.44 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 0.4 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 0.56 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.46 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.22 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 1.52 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 1.58 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 0.41 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 0.35 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.44 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.01 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 0.66 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.35 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.5 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.89 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.38 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 2.7 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.8 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.21 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 0.84 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.91 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.0 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 0.5 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 0.73 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 126' ' ' LEU . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 0.37 110.96 -177.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.494 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 0.39 111.263 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.61 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 . . . . . 0 CA--C 1.521 -0.168 0 CA-C-O 120.785 0.326 . . . . 2.18 110.7 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.74 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 0.6 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 3.56 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.49 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.51 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.72 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 0.32 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.37 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 3.58 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.38 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 0.28 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 23' ' ' ARG . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.36 111.001 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.05 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.42 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 1.69 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 0.49 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 1.44 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.08 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 0.49 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 0.89 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 HG12 ' A' ' 51' ' ' ILE . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 0.49 110.119 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 0.54 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 0.46 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 0.84 113.101 -171.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m . . . . . 0 N--CA 1.451 -0.413 0 CA-C-O 121.091 0.472 . . . . 0.89 111.24 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.06 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 0.36 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 2.62 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 35' ' ' THR . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 0.42 109.157 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.371 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 0.93 109.989 175.601 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.038 0.447 . . . . 1.16 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.08 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.2 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 0.32 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 0.3 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 68' ' ' LEU . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 0.28 110.687 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 0.75 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.32 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.02 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.74 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 0.4 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 3.96 112.082 -178.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 0.55 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 2.59 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.43 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 0.57 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 0.63 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 3.71 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.58 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.06 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 0.48 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 0.44 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 0.4 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 0.56 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.46 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.22 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 1.52 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 1.58 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 0.41 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.35 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.44 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.01 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 0.66 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.35 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.5 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 0.46 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.89 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.38 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 2.7 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 0.8 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.84 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 0.91 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 0.5 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 0.73 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 0.37 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.4 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 0.39 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.61 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.521 -0.16 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.74 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.6 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 3.56 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.49 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.51 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 1.51 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.72 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 0.32 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.37 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 3.58 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 0.38 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.28 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.05 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.42 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 1.69 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 0.49 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 1.44 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.25 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.08 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 0.49 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 0.89 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 0.49 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 0.54 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.46 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 0.84 112.927 -174.605 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.887 0.375 . . . . 0.89 110.608 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 71' ' ' THR . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.06 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 0.36 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 2.62 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 0.42 109.22 175.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 0.46 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 0.93 111.139 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.27 0 N-CA-C 111.637 0.236 . . . . 1.16 111.637 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.13 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.08 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.2 111.874 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.404 HD22 HD11 ' A' ' 120' ' ' LEU . 3.3 t30 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 51' ' ' ILE . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.32 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB1' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.3 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 0.28 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 48' ' ' GLN . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 0.75 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.32 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.02 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 0.74 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 0.4 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 3.96 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 0.55 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.622 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 2.59 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 79' ' ' ARG . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 0.79 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.43 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.57 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.63 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 3.71 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.06 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.64 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 0.48 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.4 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 100' ' ' LEU . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 0.56 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.46 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.22 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.52 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 1.58 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.41 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.35 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.01 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 0.66 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.35 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.5 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 0.46 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.89 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.38 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 2.7 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.8 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.21 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 0.84 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 0.91 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.404 HD11 HD22 ' A' ' 67' ' ' ASN . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.567 177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 0.5 110.872 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 0.73 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 0.37 110.837 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.425 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.4 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 0.39 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.61 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 12' ' ' ARG . 27.4 t70 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.889 0.376 . . . . 2.18 110.111 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 0.74 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.6 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 11' ' ' ARG . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 3.56 111.359 -176.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 8' ' ' ASP . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.49 111.476 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.51 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 1.51 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.72 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 0.32 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.37 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 3.58 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.38 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.28 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.36 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 0.35 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.42 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 1.69 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 0.49 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 1.44 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.25 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.08 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 0.49 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 0.89 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 51' ' ' ILE . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 0.49 110.811 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 0.46 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 0.84 113.672 -170.351 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.756 0.313 . . . . 0.89 111.101 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.06 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 0.36 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 2.62 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 68' ' ' LEU . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 0.42 109.125 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 0.46 110.517 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 0.93 109.558 176.779 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.941 0.401 . . . . 1.16 111.207 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.08 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.2 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.534 HD22 HD11 ' A' ' 120' ' ' LEU . 7.3 t30 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 51' ' ' ILE . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.32 109.558 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 0.3 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.28 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.604 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 0.75 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.32 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.02 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 0.74 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.4 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.534 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 3.96 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 0.55 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 2.59 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.79 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.43 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 0.57 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 0.63 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 3.71 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.58 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 0.64 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.48 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 0.44 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 0.4 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 0.56 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.46 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.22 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 1.52 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 1.58 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 0.41 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.44 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.01 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 0.66 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.35 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.5 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 0.46 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.89 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.38 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 2.7 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 0.8 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 4.1 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.21 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 0.84 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 0.91 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.534 HD11 HD22 ' A' ' 67' ' ' ASN . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 -175.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 0.5 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 0.73 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 0.37 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.604 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.4 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 123' ' ' LEU . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.39 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.61 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.52 -0.184 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 0.74 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.6 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 3.56 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.49 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.51 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 1.51 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.72 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 0.32 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.37 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 0.38 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 0.28 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.36 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.35 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 0.42 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 1.69 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 1.44 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.25 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.08 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 0.49 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 0.89 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 0.49 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 0.54 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 0.46 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 0.84 112.387 -176.179 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.469 HG21 ' HA ' ' A' ' 14' ' ' ASP . 12.0 m . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.909 0.385 . . . . 0.89 110.748 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.06 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 0.36 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.62 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 HG22 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 0.42 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 0.46 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.93 110.342 178.735 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.372 0.606 . . . . 1.16 110.067 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.13 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.08 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.2 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 51' ' ' ILE . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 0.32 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 0.3 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 0.75 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.32 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.02 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.74 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 0.4 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 3.96 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 0.55 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 2.59 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 0.79 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.43 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 0.57 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.63 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 3.71 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.58 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.06 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.64 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.48 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.44 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 0.4 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 0.56 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.46 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.22 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 1.52 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 1.58 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 0.41 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.35 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.44 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.01 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 0.66 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.35 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.5 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 0.46 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.89 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.38 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 2.7 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 0.8 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.21 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.84 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 0.91 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 0.5 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 0.73 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.37 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.4 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.39 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.61 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.56 0.219 . . . . 2.18 110.469 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 0.74 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 0.6 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 3.56 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.659 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.49 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.51 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 1.51 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.72 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 0.32 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.37 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 3.58 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 0.38 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 0.28 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.36 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.35 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.42 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 1.69 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 0.49 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 1.44 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.25 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.08 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 0.49 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 0.89 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 0.49 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 48' ' ' GLN . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.46 109.013 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 0.84 113.683 -171.568 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.234 0.256 0 CA-C-O 120.743 0.306 . . . . 0.89 110.324 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.087 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 0.36 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 2.62 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 68' ' ' LEU . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 0.42 108.968 174.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 0.46 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 0.93 110.392 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.195 0 CA-C-O 121.212 0.529 . . . . 1.16 111.055 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.13 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.08 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.2 110.434 -175.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.428 HD22 HD11 ' A' ' 120' ' ' LEU . 5.6 t30 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 0.32 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 0.3 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.28 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.555 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 0.75 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.32 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.02 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 0.74 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.4 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 3.96 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 0.55 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.659 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 2.59 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 0.79 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.43 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 0.57 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 3.71 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.58 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.06 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.64 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.48 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.44 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 0.4 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 0.56 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.46 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.22 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 1.52 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 1.58 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 0.41 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 0.35 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.44 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.01 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.35 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.5 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 0.46 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.89 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.38 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 2.7 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.8 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 3.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.21 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.84 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 0.91 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.428 HD11 HD22 ' A' ' 67' ' ' ASN . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.0 108.936 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 0.5 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 0.73 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.37 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.555 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.4 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 0.39 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.61 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 CA--C 1.52 -0.192 0 CA-C-O 121.04 0.448 . . . . 2.18 110.261 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.528 HG22 HG22 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.74 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 0.6 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 3.56 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.49 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.72 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 0.32 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.37 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 3.58 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.38 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.28 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.36 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 0.35 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.05 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.42 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.69 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 1.44 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.25 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.08 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 0.49 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 0.89 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 51' ' ' ILE . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 0.49 110.815 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.54 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 0.46 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 0.84 112.575 -177.084 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 110.33 -0.248 . . . . 0.89 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.06 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 0.36 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 2.62 110.935 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 68' ' ' LEU . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 0.42 108.789 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 0.93 109.293 177.651 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 121.218 0.532 . . . . 1.16 110.702 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.13 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.08 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.2 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.521 ' C ' HD22 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 51' ' ' ILE . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 0.32 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 0.3 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.28 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.616 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 0.75 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.32 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.02 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 0.74 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.528 HG22 HG22 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 0.4 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 3.96 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 0.55 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 2.59 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 0.79 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.43 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 0.57 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.63 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 88' ' ' ARG . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 3.71 109.626 178.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.58 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.555 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.06 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 0.64 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.48 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 0.44 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.4 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 0.56 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.46 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.22 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 1.52 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 1.58 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.41 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.44 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.01 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 0.66 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.35 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.5 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.89 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.38 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 2.7 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.8 111.26 -174.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.21 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 0.84 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 0.91 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 0.5 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 0.73 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.37 111.118 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.616 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.437 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.4 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 0.39 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.61 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.555 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.736 0.303 . . . . 2.18 110.674 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.74 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.6 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 3.56 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.49 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.51 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 1.51 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.72 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 0.32 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.37 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 3.58 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 0.38 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 0.28 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.36 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.672 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 0.35 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.05 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.42 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 1.69 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.49 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 1.44 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.25 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.08 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 0.49 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 0.89 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 0.49 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 0.54 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 0.46 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 0.84 113.03 -176.131 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.364 -0.236 . . . . 0.89 110.364 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.06 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.36 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 2.62 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 0.42 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.475 178.651 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 121.539 0.685 . . . . 1.16 110.153 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.13 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.08 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.2 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 51' ' ' ILE . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 0.32 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 0.3 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 0.28 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 0.75 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.32 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.02 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 0.74 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.4 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.56 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 3.96 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.55 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 2.59 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 0.79 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.43 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 0.57 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.63 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 3.71 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.58 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.06 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.64 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.48 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.44 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 0.4 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 0.56 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.46 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.22 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 1.52 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 1.58 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 0.41 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.35 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.44 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.01 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 0.66 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.35 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.5 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 0.46 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.89 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.38 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 2.7 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.8 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.21 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 0.84 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 0.91 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 0.5 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 0.73 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 0.37 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.423 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.4 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 0.39 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.61 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.809 0.338 . . . . 2.18 110.402 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 0.74 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.6 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 3.56 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.49 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.51 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 1.51 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.72 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 0.32 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.37 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 3.58 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.38 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 0.28 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.36 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.35 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.05 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.42 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 1.69 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 1.44 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.25 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.08 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 0.49 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 0.89 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.576 HG22 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 0.49 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 0.54 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.46 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 0.84 112.213 -179.169 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.237 0.411 0 CA-C-O 120.899 0.38 . . . . 0.89 110.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 0.36 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 2.62 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 0.42 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 0.46 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.93 110.749 179.62 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 121.154 0.502 . . . . 1.16 111.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.13 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.08 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 0.32 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.3 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 0.75 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.32 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.02 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 0.74 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.4 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.472 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 3.96 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 0.55 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 2.59 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 0.79 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.43 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.57 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.63 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 3.71 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.58 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.06 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.64 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 0.48 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 0.44 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.4 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 0.56 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.46 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.22 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 1.52 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 1.58 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.41 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 0.35 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.44 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.01 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 0.66 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.35 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.5 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 0.46 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.89 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.38 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 2.7 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 0.8 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.21 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.84 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 0.91 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 0.5 111.143 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.73 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 0.37 111.348 -175.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.4 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.39 111.153 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.427 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.61 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 . . . . . 0 CA--C 1.518 -0.267 0 CA-C-O 120.933 0.397 . . . . 2.18 110.452 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 0.74 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 0.6 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 3.56 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.49 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.51 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.42 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 1.51 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.72 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.37 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 3.58 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.38 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 0.28 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.36 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 1.69 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 0.49 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 1.44 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.08 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 0.49 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 0.89 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 0.49 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 0.54 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 0.46 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 0.84 113.178 -174.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.754 0.311 . . . . 0.89 110.666 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 0.36 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 2.62 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 0.42 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 0.46 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 0.93 109.996 175.849 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.261 0.553 . . . . 1.16 110.916 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.13 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.08 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.2 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HG13 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 0.32 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 0.3 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 0.28 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.455 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.75 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.32 111.015 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.02 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 0.74 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 3.96 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.55 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 2.59 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 0.79 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.43 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.57 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 0.63 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 3.71 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.58 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.06 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.64 109.803 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.48 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.44 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 0.4 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 0.56 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.46 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.22 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.715 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 1.58 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 0.41 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.35 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.44 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.715 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.01 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 0.66 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.35 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.5 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 0.46 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.89 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.38 110.88 -178.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 2.7 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 0.8 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.21 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.84 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 0.91 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 0.5 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 0.73 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 0.37 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.455 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.4 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.39 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.53 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.61 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.876 -0.416 . . . . 2.18 109.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 0.74 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 0.6 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 3.56 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.49 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.51 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.428 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 1.51 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.72 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 0.32 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.37 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 3.58 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.38 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.28 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.36 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.35 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.05 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 0.42 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 1.69 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 0.49 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 1.44 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.25 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.08 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.49 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 0.89 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 0.49 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.54 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 0.46 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 0.84 113.338 -174.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 54.7 m . . . . . 0 C--O 1.236 0.356 0 CA-C-O 120.99 0.424 . . . . 0.89 111.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.06 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 0.36 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 2.62 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 0.42 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 0.93 110.401 -179.394 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.072 0.463 . . . . 1.16 111.099 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.13 110.155 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.08 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.2 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 51' ' ' ILE . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.32 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.3 110.808 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 0.28 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 0.75 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.32 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.509 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.02 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 0.74 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 0.4 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 3.96 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 0.55 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 2.59 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 0.79 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.43 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.57 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.63 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 3.71 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.58 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.06 110.562 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.64 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.48 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 0.44 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.4 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 0.56 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.46 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.22 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 1.52 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 1.58 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 0.41 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 0.35 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.44 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.01 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 0.66 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.35 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.5 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 0.46 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.89 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.38 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 2.7 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 0.8 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.21 109.729 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 0.84 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.91 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 0.5 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 69' ' ' ALA . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 0.73 108.811 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 126' ' ' LEU . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 0.37 109.841 -174.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . 0.509 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 0.39 111.181 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.61 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.954 0.406 . . . . 2.18 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 0.74 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.6 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 3.56 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.49 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.51 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 1.51 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.72 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 0.32 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.37 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 3.58 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.38 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.36 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.35 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.42 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 1.69 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.49 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 1.44 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.25 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.08 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 0.49 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 0.89 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.445 HG22 HG12 ' A' ' 51' ' ' ILE . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 0.49 111.006 -175.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 0.54 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 0.46 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 0.84 112.527 -175.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 121.034 0.445 . . . . 0.89 111.134 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.06 109.496 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 0.36 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 2.62 110.18 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 HD23 ' A' ' 68' ' ' LEU . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 0.42 109.69 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 0.46 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . . . . . . 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 0.93 111.215 -176.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.216 0 CA-C-O 121.097 0.475 . . . . 1.16 111.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.13 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.08 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 51' ' ' ILE . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 0.32 109.619 -170.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 0.3 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.28 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.595 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 0.75 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.32 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.02 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.74 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 0.4 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 3.96 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 0.55 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 2.59 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.79 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.43 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 0.57 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 0.63 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 3.71 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.58 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.06 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 0.48 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 0.44 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 0.4 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 0.56 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.46 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.22 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 1.52 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 1.58 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 0.41 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 0.35 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.44 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.01 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 0.66 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.35 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.5 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 0.46 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.89 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.38 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 2.7 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 0.8 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.21 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.84 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.91 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 0.5 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 0.73 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.37 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.595 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.4 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 0.39 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.61 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 0.74 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 3.56 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.49 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.51 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 1.51 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.72 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 0.32 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.37 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 3.58 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.38 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 0.28 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.36 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.42 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 1.69 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.49 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 1.44 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.25 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 32' ' ' ARG . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.08 109.413 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 0.49 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 0.89 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 0.49 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 0.54 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.46 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 0.84 113.351 -172.672 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.925 -0.398 . . . . 0.89 109.925 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.417 ' HB3' HG22 ' A' ' 71' ' ' THR . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.06 110.538 -173.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 0.36 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 2.62 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 0.42 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 0.46 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 0.93 110.46 178.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.319 0.581 . . . . 1.16 110.514 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.08 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.2 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 0.32 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 0.28 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.581 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 0.75 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.32 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 0.74 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 0.4 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 3.96 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 0.55 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 2.59 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.79 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.43 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.57 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.63 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 3.71 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.58 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.06 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.64 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.48 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.44 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.4 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 0.56 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.46 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.22 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 1.52 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 1.58 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 0.41 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 0.35 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.01 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 0.66 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.35 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.5 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 0.46 109.331 -175.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.89 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.38 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 2.7 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 0.8 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.21 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.84 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 0.91 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.0 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 0.5 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 0.73 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 0.37 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.581 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.4 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 0.39 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.61 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 . . . . . 0 N--CA 1.455 -0.197 0 N-CA-C 109.93 -0.396 . . . . 2.18 109.93 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 0.74 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 0.6 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 3.56 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.49 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.51 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.51 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.72 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 0.32 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.37 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 3.58 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.38 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 0.28 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.36 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.35 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.05 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 0.42 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 1.69 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.49 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 1.44 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.25 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.08 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 0.49 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 0.89 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 0.49 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 0.54 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 0.46 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.545 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . . . . . . 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 0.84 112.755 -174.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.429 HG23 ' HA2' ' A' ' 39' ' ' GLY . 17.0 m . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.89 110.984 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.06 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 0.36 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 2.62 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 0.42 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 0.93 111.078 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 120.987 0.422 . . . . 1.16 110.744 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.13 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.08 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.2 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 0.32 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 0.3 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.32 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.02 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 0.74 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 127' ' ' ASP . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 3.96 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 0.55 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 2.59 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 0.79 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.43 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 0.57 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 0.63 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 3.71 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.58 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.06 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.64 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 0.48 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.44 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.4 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 0.56 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.46 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.22 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 1.52 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 1.58 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 0.41 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 0.35 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.44 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 0.66 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.35 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.5 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 0.46 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.89 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.38 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 2.7 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.8 110.545 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.21 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.84 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 0.5 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 0.73 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 0.37 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.4 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 0.39 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . 0.528 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.61 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 111.906 -0.478 . . . . 9.84 111.906 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.96 80.63 6.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.992 0.425 . . . . 8.62 111.17 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.6 ptm -117.0 167.66 10.94 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.08 -0.509 . . . . 9.31 109.734 176.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.38 67.35 2.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 121.34 -0.457 . . . . 5.55 112.738 -177.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.8 ptm -127.52 23.17 6.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.553 0.692 . . . . 6.19 109.409 176.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -100.95 142.93 25.59 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 115.353 -0.84 . . . . 2.78 110.372 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.33 -12.92 37.65 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.528 2.152 . . . . 1.35 111.366 175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -81.51 -34.44 31.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.325 -0.852 . . . . 2.18 109.302 175.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.42 HG23 ' SD ' ' A' ' 81' ' ' MET . 33.0 m -66.24 -48.16 71.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.453 -0.794 . . . . 0.74 109.834 178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.33 -38.25 90.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.21 -0.904 . . . . 0.6 110.693 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.2 ttt180 -65.23 -40.24 93.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 3.56 110.756 179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.426 ' HD3' ' HG2' ' A' ' 81' ' ' MET . 59.9 ttt180 -59.26 -41.51 88.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.352 -0.385 . . . . 3.49 110.645 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -66.56 -48.16 70.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.235 178.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -60.24 -39.3 86.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.712 -0.676 . . . . 0.87 112.155 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 t -86.8 -41.78 13.8 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 112.067 0.395 . . . . 1.51 112.067 -173.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -96.33 -44.98 6.99 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 113.012 0.745 . . . . 1.81 113.012 -171.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -98.36 -44.34 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.701 0.63 . . . . 0.72 112.701 -167.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.475 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.66 -48.34 97.05 Favored Pre-proline 0 CA--C 1.538 0.502 0 N-CA-C 112.93 0.715 . . . . 0.32 112.93 -174.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.475 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 32.6 Cg_exo -64.21 -24.58 65.5 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 121.83 1.687 . . . . 0.37 111.951 178.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 tpt180 -70.72 -39.86 73.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.026 -0.534 . . . . 3.58 109.833 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.411 ' O ' HG12 ' A' ' 25' ' ' ILE . 79.7 mt -69.3 -49.18 63.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.907 -0.588 . . . . 0.38 110.275 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.56 -47.11 85.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.765 -0.652 . . . . 0.28 111.8 -177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.6 ttt180 -71.13 -37.42 72.3 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.991 -0.55 . . . . 3.36 111.065 -177.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.77 -43.17 94.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.543 -0.299 . . . . 0.35 110.911 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.572 HG21 HD13 ' A' ' 51' ' ' ILE . 43.9 mm -66.86 -46.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.196 -0.457 . . . . 1.05 110.931 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.62 89.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.42 111.058 -178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -71.34 -34.22 70.32 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.86 111.12 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -67.11 -37.08 83.29 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.589 -0.523 . . . . 1.69 109.589 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -85.61 10.04 14.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.902 -0.59 . . . . 0.49 110.862 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 54.59 36.95 27.14 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.955 -0.566 . . . . 1.44 111.133 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 61.98 32.81 17.64 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.284 178.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -78.45 -14.86 59.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.415 0.626 . . . . 4.08 109.996 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.21 144.67 47.07 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 0.49 109.994 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -96.22 131.09 43.06 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 108.89 -0.781 . . . . 0.89 108.89 177.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.447 HG22 HG12 ' A' ' 51' ' ' ILE . 40.5 p -111.19 139.7 46.35 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-O 121.049 0.452 . . . . 0.49 110.755 -176.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -142.3 122.44 13.79 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 1.56 109.979 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.1 t -90.13 117.39 33.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 120.94 0.4 . . . . 0.54 111.474 -178.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 47' ' ' THR . 32.8 t -72.18 99.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 108.59 -0.893 . . . . 0.46 108.59 168.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -78.41 174.48 55.06 Favored Glycine 0 N--CA 1.445 -0.733 0 C-N-CA 120.624 -0.798 . . . . 0.84 112.845 -175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 71.5 t80 -70.07 114.26 8.06 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.792 -0.447 . . . . 2.57 109.792 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.82 47.54 1.02 Allowed Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.856 -0.687 . . . . 2.74 112.069 -178.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.77 163.69 25.09 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.785 -0.722 . . . . 2.95 112.098 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.1 m-70 -63.8 115.82 5.17 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.748 0.309 . . . . 5.56 110.452 -178.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.61 -3.7 23.16 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.775 -0.726 . . . . 3.24 111.677 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -114.69 96.18 43.13 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 109.936 -0.394 . . . . 4.97 109.936 178.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -73.19 147.13 41.93 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.676 2.25 . . . . 1.87 112.631 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 31.1 m -84.04 133.37 34.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.935 -0.575 . . . . 0.89 110.512 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -159.05 150.14 20.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.931 -0.577 . . . . 1.06 109.468 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 p -112.07 125.14 69.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-O 121.266 0.555 . . . . 0.36 111.3 -177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 10.8 ptp85 -97.37 137.09 36.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.61 -0.723 . . . . 2.62 110.401 177.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.58 HD12 HD23 ' A' ' 68' ' ' LEU . 54.9 mt -117.19 112.1 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 109.014 -0.736 . . . . 0.42 109.014 176.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 28.6 t -116.55 136.46 53.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 116.175 -0.466 . . . . 0.46 110.42 -174.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -130.36 81.43 68.2 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.87 0.367 . . . . 0.93 110.443 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -88.4 -177.0 1.67 Allowed 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.578 2.185 . . . . 1.67 111.347 178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 59.92 74.23 0.45 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.281 0.563 . . . . 5.54 110.745 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -83.23 93.66 7.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.952 -0.567 . . . . 3.83 109.509 174.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -75.34 -60.66 2.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.04 -0.527 . . . . 6.04 111.356 -172.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -108.19 22.18 16.3 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.901 0.381 . . . . 6.46 111.263 -175.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.444 HG11 ' HB3' ' A' ' 113' ' ' SER . 58.9 t -124.09 121.49 62.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.337 -0.392 . . . . 5.11 111.005 -177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -134.74 129.66 35.03 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.657 -0.497 . . . . 5.97 109.657 175.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 178.32 -68.54 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.692 -0.766 . . . . 1.94 111.785 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -103.77 144.53 31.35 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.661 -0.496 . . . . 2.22 109.661 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.66 33.69 1.12 Allowed 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.944 0.402 . . . . 1.16 111.491 -175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -130.69 117.69 17.55 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.92 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -73.56 153.93 49.66 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.591 2.194 . . . . 1.08 110.954 174.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.644 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 60.0 tp -67.54 116.62 8.48 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.882 0.372 . . . . 1.2 110.986 -179.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.433 HD22 HD11 ' A' ' 120' ' ' LEU . 3.5 t30 -135.17 93.53 3.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.993 -0.743 . . . . 0.63 108.993 175.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.58 HD23 HD12 ' A' ' 51' ' ' ILE . 40.3 tp -106.95 131.42 54.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.837 -0.62 . . . . 0.32 111.195 -175.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.99 107.2 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.911 -0.586 . . . . 0.3 110.559 175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.35 125.75 36.21 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.755 -0.657 . . . . 0.28 110.638 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 40.1 p -131.4 150.1 52.28 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.763 -0.458 . . . . 0.75 109.763 177.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.87 152.92 49.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.126 0.488 . . . . 0.32 110.992 -176.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -64.08 129.27 39.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.139 -0.937 . . . . 1.02 111.255 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.3 m -60.75 -27.93 68.32 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.367 -0.833 . . . . 0.74 111.841 -176.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.432 ' O ' ' HB3' ' A' ' 78' ' ' GLU . 3.8 m-20 -61.5 -49.67 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.933 0.397 . . . . 1.98 110.519 175.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -60.78 -41.53 95.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.686 -0.688 . . . . 1.57 110.954 177.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.6 mt -58.01 -39.75 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 121.178 0.513 . . . . 0.4 110.524 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 75' ' ' ASP . 29.2 tt0 -60.42 -41.05 93.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.623 -0.717 . . . . 2.15 110.475 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.545 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 20.9 mmm180 -64.04 -28.8 70.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.601 -0.727 . . . . 3.96 111.699 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 60.1 mt -62.09 -19.11 62.62 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.32 0.387 . . . . 0.55 111.446 -176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.426 ' HG2' ' HD3' ' A' ' 12' ' ' ARG . 74.4 mtm -75.13 -14.34 60.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.455 -0.339 . . . . 2.59 111.786 -179.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -95.73 166.33 11.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.646 -0.252 . . . . 2.34 110.841 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.73 -49.6 77.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 120.618 0.246 . . . . 0.79 111.08 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.29 -15.33 63.14 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.024 0.44 . . . . 1.76 110.526 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.545 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.72 -46.71 17.21 Favored Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 110.893 -0.883 . . . . 0.43 110.893 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.36 -37.75 70.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.783 0.325 . . . . 0.57 110.765 171.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.04 -32.02 72.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.159 0.504 . . . . 0.63 110.518 178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.521 HH21 ' HG2' ' A' ' 91' ' ' ARG . 3.1 tpm_? -66.86 -42.12 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.687 -0.688 . . . . 3.71 109.484 177.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -65.14 -42.45 93.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.505 -0.77 . . . . 0.58 110.907 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.7 -35.6 80.24 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.157 -0.474 . . . . 2.1 110.784 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.521 ' HG2' HH21 ' A' ' 88' ' ' ARG . 16.3 tpt180 -69.11 -32.11 71.28 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.657 -0.702 . . . . 4.06 110.412 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -71.97 -38.14 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.024 -0.535 . . . . 0.64 110.23 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.441 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 82.1 mt -63.81 -39.15 93.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.024 0.44 . . . . 0.48 110.306 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -21.82 66.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.034 -0.53 . . . . 0.44 111.913 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -104.32 8.16 35.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.914 0.339 . . . . 0.4 111.914 -176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 94.3 mt -53.35 -51.44 75.58 Favored Pre-proline 0 N--CA 1.466 0.35 0 N-CA-C 111.835 0.309 . . . . 0.56 111.835 178.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 23.5 Cg_endo -60.35 -28.65 87.22 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 122.007 1.805 . . . . 0.46 112.479 179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' HA ' ' NE ' ' A' ' 98' ' ' ARG . 2.4 tpm_? -78.41 -45.03 23.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 4.22 110.726 -176.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 77.3 mttt -74.1 -34.72 64.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.303 -0.408 . . . . 1.52 110.11 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 21.7 tp -59.19 -50.06 75.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.687 -0.688 . . . . 1.58 110.241 178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.87 78.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.97 -0.559 . . . . 0.41 110.768 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.27 -42.84 92.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.562 -0.745 . . . . 0.35 110.575 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.1 m0 -67.49 -37.47 82.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.095 -0.502 . . . . 0.44 111.074 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 26.8 mt-10 -58.28 -51.13 71.08 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.986 0.422 . . . . 0.62 110.648 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.3 -39.85 89.62 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.514 -0.766 . . . . 2.01 111.753 -176.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.5 -39.52 15.11 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.397 0.517 . . . . 0.66 112.397 -171.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -93.69 -2.36 53.98 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.335 0.494 . . . . 1.35 112.335 -171.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.76 43.19 60.01 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.457 -0.877 . . . . 0.5 111.781 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 87.4 t -122.59 141.36 43.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 109.233 -0.654 . . . . 0.46 109.233 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -132.75 102.82 5.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.945 0.402 . . . . 0.84 110.148 178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -67.95 -28.88 67.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.829 -0.623 . . . . 0.9 111.857 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -73.68 -27.8 66.51 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.476 -0.869 . . . . 0.89 111.61 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.444 ' HB3' HG11 ' A' ' 59' ' ' VAL . 12.8 m -92.52 -9.86 39.81 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.761 0.315 . . . . 1.38 110.706 179.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 62.69 20.77 12.3 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 115.886 -0.597 . . . . 2.7 111.088 176.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.0 p -136.7 171.81 13.94 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.859 -0.609 . . . . 0.8 110.656 -176.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.608 HE22 HG12 ' A' ' 121' ' ' VAL . 4.1 pt20 -148.25 152.26 36.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.514 -0.312 . . . . 1.21 110.835 -178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.21 9.17 41.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.006 -0.543 . . . . 0.84 110.79 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -101.26 171.36 7.65 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.262 -0.644 . . . . 1.07 109.262 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.18 -43.64 33.07 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.19 0.519 . . . . 0.91 109.607 174.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.433 HD11 HD22 ' A' ' 67' ' ' ASN . 68.1 tp -167.8 133.36 1.95 Allowed 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.497 -0.927 . . . . 1.0 108.497 -176.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.608 HG12 HE22 ' A' ' 116' ' ' GLN . 7.3 p -106.05 97.58 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 122.237 1.018 . . . . 0.5 111.069 -175.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 64.3 mt -103.1 134.62 46.23 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.804 -1.089 . . . . 0.73 108.866 175.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -125.64 104.28 8.3 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.821 -0.437 . . . . 0.37 109.821 -176.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -113.78 160.82 12.95 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 121.005 -0.617 . . . . 0.34 112.06 -179.165 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.08 24.75 70.72 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.78 -0.724 . . . . 0.4 112.82 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.1 mp -83.04 155.33 23.97 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.065 0.46 . . . . 0.39 110.876 178.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -130.72 175.08 9.32 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.778 -0.823 . . . . 1.11 108.778 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -104.2 28.88 6.41 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.475 0.655 . . . . 0.61 110.475 -179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -89.53 146.52 24.54 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.412 -0.813 . . . . 3.0 109.957 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.507 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.011 0 CA-C-O 119.111 -0.471 . . . . 2.26 110.336 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.801 0 N-CA-C 111.618 -0.593 . . . . 9.84 111.618 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.63 28.07 5.44 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.969 0.414 . . . . 8.62 110.32 178.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.5 mmt 57.81 37.9 27.14 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 115.352 -0.84 . . . . 9.31 110.61 -177.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.9 94.02 0.18 Allowed Glycine 0 N--CA 1.442 -0.914 0 C-N-CA 120.832 -0.699 . . . . 5.55 112.066 -178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 23.2 ptp -135.72 -0.83 2.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.67 0.271 . . . . 6.19 110.749 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.466 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 24.1 t -62.06 -51.56 73.89 Favored Pre-proline 0 CA--C 1.539 0.519 0 CA-C-N 116.509 -0.314 . . . . 2.78 111.178 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 6' ' ' SER . 36.2 Cg_endo -65.88 -17.86 56.58 Favored 'Trans proline' 0 C--N 1.357 1.006 0 C-N-CA 121.717 1.611 . . . . 1.35 111.968 176.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -76.17 -41.1 50.83 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 116.032 -0.531 . . . . 2.18 110.727 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.409 ' HA ' ' HE ' ' A' ' 12' ' ' ARG . 68.5 m -65.02 -42.92 93.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.159 0.504 . . . . 0.74 110.126 176.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.08 -42.66 99.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.438 -0.801 . . . . 0.6 110.802 178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -70.74 -38.2 73.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.854 -0.612 . . . . 3.56 111.349 -178.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.409 ' HE ' ' HA ' ' A' ' 9' ' ' THR . 65.2 mtm180 -64.19 -40.49 96.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.445 -0.343 . . . . 3.49 110.658 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.54 -40.46 92.9 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.634 -0.506 . . . . 0.51 109.634 174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -61.17 -36.85 80.92 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.163 -0.926 . . . . 0.87 112.005 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.0 t -95.4 -38.06 10.66 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.325 0.491 . . . . 1.51 112.325 -174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' O ' ' HD3' ' A' ' 20' ' ' ARG . 4.3 tp10 -93.26 -39.91 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.319 0.488 . . . . 1.81 112.319 -171.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -102.76 -50.22 3.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.522 0.564 . . . . 0.72 112.522 -170.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.417 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.4 -47.57 98.31 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 113.588 0.958 . . . . 0.32 113.588 -172.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.417 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.2 Cg_exo -58.93 -34.6 99.18 Favored 'Trans proline' 0 C--N 1.358 1.07 0 C-N-CA 121.91 1.74 . . . . 0.37 112.403 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' O ' ' A' ' 16' ' ' GLU . 3.7 mpt_? -73.06 -33.29 65.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.282 -0.417 . . . . 3.58 110.407 -178.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.408 ' O ' HG13 ' A' ' 25' ' ' ILE . 78.3 mt -67.09 -48.09 80.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.38 109.919 176.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.64 -46.6 86.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.607 -0.724 . . . . 0.28 111.909 -177.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmm180 -70.94 -36.03 72.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.534 -0.303 . . . . 3.36 111.324 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.17 -44.94 94.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.985 0.422 . . . . 0.35 110.583 179.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' O ' ' HG ' ' A' ' 29' ' ' LEU . 69.1 mt -64.66 -44.87 96.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.758 -0.655 . . . . 1.05 111.201 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.12 -40.05 84.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.073 0.463 . . . . 0.42 111.036 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -71.28 -37.77 71.87 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.814 -0.63 . . . . 0.86 110.84 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 39.9 tp -66.07 -39.29 89.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.91 -0.586 . . . . 1.69 110.297 -177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 25' ' ' ILE . 68.9 mt -78.97 10.76 3.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.761 -0.654 . . . . 0.49 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 15.7 m120 62.22 30.88 17.7 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 122.585 0.354 . . . . 1.44 111.087 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 57.62 36.11 26.4 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.007 0.432 . . . . 1.25 111.563 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.0 mtm180 -98.08 4.53 49.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.291 0.567 . . . . 4.08 110.229 176.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -148.41 153.57 38.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.374 -0.83 . . . . 0.49 110.137 178.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -109.34 130.27 55.5 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.895 -0.593 . . . . 0.89 109.737 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.48 HG22 HG12 ' A' ' 51' ' ' ILE . 50.3 p -112.16 142.56 44.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.516 -0.311 . . . . 0.49 110.857 -178.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -125.65 135.31 52.01 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.423 -0.353 . . . . 1.56 110.581 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 61.0 t -86.6 95.86 5.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 0.54 109.761 176.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.3 t -75.83 119.04 23.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.458 -0.571 . . . . 0.46 109.458 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.91 163.94 53.59 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.7 -0.762 . . . . 0.84 112.636 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -64.23 114.11 4.01 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.679 -0.489 . . . . 2.57 109.679 178.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.86 -30.62 14.33 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.758 -0.734 . . . . 2.74 112.124 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 150.45 -162.55 29.32 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 111.359 -0.696 . . . . 2.95 111.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 13.8 p-80 -60.52 120.22 9.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.061 0.457 . . . . 5.56 110.612 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.79 67.59 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.903 -0.665 . . . . 3.24 112.443 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -137.18 85.59 21.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.781 -0.452 . . . . 4.97 109.781 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.95 170.73 14.98 Favored 'Trans proline' 0 N--CA 1.46 -0.472 0 C-N-CA 122.892 2.394 . . . . 1.87 112.115 -177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 19.7 m -65.44 129.7 40.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 109.418 -0.586 . . . . 0.89 109.418 173.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -153.24 151.1 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.319 -0.401 . . . . 1.06 110.212 -173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.08 121.45 64.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.441 0.639 . . . . 0.36 110.677 -179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -94.99 136.94 34.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.644 -0.707 . . . . 2.62 110.297 178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.52 HD12 HD23 ' A' ' 68' ' ' LEU . 31.6 mt -112.3 112.05 38.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 109.244 -0.651 . . . . 0.42 109.244 176.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 48.2 t -115.47 129.97 70.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.027 -0.533 . . . . 0.46 109.65 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -118.41 105.82 45.69 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 116.264 -0.425 . . . . 0.93 110.706 -178.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -61.44 108.02 0.56 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.484 2.123 . . . . 1.67 110.912 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -71.05 113.21 7.85 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.294 0.569 . . . . 5.54 110.925 -175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.3 -31.24 43.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.724 -0.671 . . . . 3.83 109.541 175.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -71.66 118.91 15.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.759 -1.11 . . . . 6.04 109.802 176.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 29.2 p80 -132.19 13.1 4.68 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.823 0.344 . . . . 6.46 111.048 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.0 t -112.92 -35.53 2.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.349 0.595 . . . . 5.11 109.694 177.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -117.64 -178.43 3.47 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.493 -0.776 . . . . 5.97 109.959 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.42 -164.44 41.78 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.715 -0.755 . . . . 1.94 112.761 176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -103.51 154.89 18.97 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.136 -0.32 . . . . 2.22 110.136 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.04 39.76 0.72 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.095 0.474 . . . . 1.16 111.369 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 95.5 m-70 -136.99 114.35 9.95 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.099 -0.5 . . . . 1.13 110.158 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.3 147.8 93.44 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.586 2.19 . . . . 1.08 111.019 174.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.515 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.8 tt -69.68 116.4 10.03 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.645 -0.502 . . . . 1.2 109.645 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -136.96 94.15 2.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.999 -0.546 . . . . 0.63 109.572 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 51' ' ' ILE . 36.1 tp -113.26 133.42 55.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.734 -0.666 . . . . 0.32 111.223 -175.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.76 111.76 21.02 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.03 -0.532 . . . . 0.3 110.211 174.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 88.1 mt -92.0 123.87 35.69 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.038 -0.528 . . . . 0.28 110.781 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.494 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 74.4 p -127.21 150.04 49.71 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.516 -0.549 . . . . 0.75 109.516 176.171 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -128.17 154.84 45.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.361 0.6 . . . . 0.32 111.55 -175.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -63.74 131.05 46.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.801 -1.09 . . . . 1.02 110.974 179.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 4.9 m -60.68 -28.36 68.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.47 -0.786 . . . . 0.74 111.891 -175.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -62.32 -44.28 96.87 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 121.086 0.469 . . . . 1.98 110.01 176.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 5.4 mm-40 -58.11 -44.01 87.47 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.385 -0.825 . . . . 1.57 111.328 175.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 49.6 mt -58.43 -46.56 89.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.4 110.786 177.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -56.04 -46.48 78.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.624 0.726 . . . . 2.15 110.302 175.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 79' ' ' ARG . 37.9 ttm180 -67.07 -27.6 67.5 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.03 -0.986 . . . . 3.96 111.79 -176.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 62.2 mt -67.01 -15.47 63.74 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.687 0.279 . . . . 0.55 111.426 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -77.21 -12.45 59.95 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.908 0.385 . . . . 2.59 110.501 178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -95.25 160.34 14.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.005 -0.543 . . . . 2.34 111.026 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.56 -48.75 78.49 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.883 0.373 . . . . 0.79 111.601 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -67.45 -19.35 65.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.962 -0.563 . . . . 1.76 110.949 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.44 -49.64 24.48 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.675 -0.774 . . . . 0.43 111.333 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.93 -35.41 71.05 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.671 0.272 . . . . 0.57 111.455 176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.385 -0.37 . . . . 0.63 111.131 178.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -72.8 -30.94 64.48 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 121.021 -0.271 . . . . 3.71 110.796 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 55.9 t80 -60.2 -40.26 89.44 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.328 -0.396 . . . . 0.58 109.995 177.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -65.3 -40.14 93.42 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.219 -0.446 . . . . 2.1 110.422 176.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.6 ttm180 -61.67 -35.0 76.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.701 -0.681 . . . . 4.06 110.377 178.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 68.5 t80 -76.52 -34.39 58.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.751 -0.659 . . . . 0.64 110.366 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 91.6 mt -63.65 -44.4 93.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.237 -0.438 . . . . 0.48 110.688 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.67 -18.22 64.23 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.132 -0.485 . . . . 0.44 111.702 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -107.28 5.6 27.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.733 0.272 . . . . 0.4 111.733 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.523 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 74.9 mt -50.49 -49.33 78.41 Favored Pre-proline 0 CA--C 1.536 0.405 0 N-CA-C 112.431 0.53 . . . . 0.56 112.431 177.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.523 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.2 Cg_endo -58.77 -32.41 97.02 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 122.105 1.87 . . . . 0.46 112.679 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -78.71 -38.25 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.228 0.537 . . . . 4.22 110.62 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -69.37 -36.92 77.32 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.152 -0.684 . . . . 1.52 109.152 178.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.533 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 15.4 tp -60.73 -49.65 76.65 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.864 -1.062 . . . . 1.58 110.188 178.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.92 -35.78 73.64 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.678 -0.692 . . . . 0.41 111.172 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.98 -45.55 88.56 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.972 -0.558 . . . . 0.35 110.788 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -67.47 -36.65 81.55 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.201 -0.454 . . . . 0.44 111.044 -179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 34.1 mt-10 -61.87 -50.43 72.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.477 -0.329 . . . . 0.62 110.453 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -64.63 -35.71 81.9 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.849 -0.614 . . . . 2.01 111.247 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -78.52 -47.26 17.69 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.745 0.646 . . . . 0.66 112.745 -173.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -99.01 -6.59 28.26 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.297 0.851 . . . . 1.35 113.297 -172.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 76.16 51.19 6.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.019 -1.086 . . . . 0.5 111.314 -177.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 61.8 t -121.39 141.43 41.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -130.98 102.62 6.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.824 -0.435 . . . . 0.84 109.824 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -70.27 -23.71 62.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.896 -0.593 . . . . 0.9 111.711 -175.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.82 -23.44 59.79 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.627 -0.797 . . . . 0.89 112.114 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.4 m -97.23 -7.39 32.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.715 0.293 . . . . 1.38 110.928 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 63.37 21.11 12.63 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.791 -0.64 . . . . 2.7 110.98 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.4 p -138.37 165.51 26.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.006 -0.543 . . . . 0.8 110.739 -176.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -149.82 151.02 32.86 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.066 -0.346 . . . . 1.21 110.066 -176.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.44 -11.89 55.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.138 -0.483 . . . . 0.84 110.791 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -91.97 151.05 20.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.895 -0.593 . . . . 1.07 109.867 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.65 -27.66 58.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.018 -0.537 . . . . 0.91 111.3 -178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 68.6 tp -169.77 126.06 0.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.789 -0.448 . . . . 1.0 109.789 -178.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.9 p -116.48 99.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.004 0.907 . . . . 0.5 111.374 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.5 mt -107.09 105.17 15.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.079 -0.964 . . . . 0.73 109.334 176.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 126' ' ' LEU . 87.4 mt -90.75 114.11 26.39 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.977 0.417 . . . . 0.37 110.96 -177.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.494 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -118.3 162.93 13.08 Favored Glycine 0 N--CA 1.445 -0.723 0 CA-C-N 115.733 -0.667 . . . . 0.34 112.103 178.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.3 20.6 79.59 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.05 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.6 mp -76.59 151.46 36.26 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.153 0.501 . . . . 0.39 111.263 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -121.84 171.07 9.17 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.345 -0.843 . . . . 1.11 109.0 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -99.7 40.17 1.25 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.55 0.691 . . . . 0.61 110.616 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -99.82 138.58 36.7 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.012 -0.994 . . . . 3.0 109.045 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.468 -0.777 . . . . 2.26 110.792 -176.54 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.643 0 N-CA-C 111.929 -0.468 . . . . 9.84 111.929 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.63 31.46 20.4 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.269 0.557 . . . . 8.62 110.99 -179.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.8 ttm -112.58 -30.35 7.15 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.613 -0.721 . . . . 9.31 109.994 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.53 -52.64 24.82 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.723 -0.751 . . . . 5.55 111.424 178.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -114.5 144.94 42.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.394 -0.595 . . . . 6.19 109.394 175.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -146.11 73.71 13.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-O 120.861 0.362 . . . . 2.78 110.205 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -63.75 -23.06 69.52 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.496 2.131 . . . . 1.35 112.262 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 27.0 t70 -68.85 -43.76 74.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.526 . . . . 2.18 110.7 179.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 35.9 m -59.34 -42.5 91.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.135 -0.484 . . . . 0.74 110.332 177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.94 -38.05 89.67 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.456 -0.793 . . . . 0.6 110.44 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.5 ttp85 -63.17 -44.4 95.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.042 -0.526 . . . . 3.56 111.055 178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.463 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 46.4 mtt180 -68.64 -42.13 78.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.12 -0.491 . . . . 3.49 111.206 -175.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -65.02 -42.46 94.39 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.745 -0.465 . . . . 0.51 109.745 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.08 -38.55 79.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.45 -0.796 . . . . 0.87 112.279 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.1 p -90.3 -44.93 9.37 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -95.59 -44.66 7.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.831 0.678 . . . . 1.81 112.831 -170.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' O ' HG13 ' A' ' 21' ' ' ILE . 96.8 m-85 -96.37 -47.08 6.14 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.74 0.644 . . . . 0.72 112.74 -168.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.494 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.28 -49.92 90.57 Favored Pre-proline 0 CA--C 1.538 0.509 0 N-CA-C 112.91 0.707 . . . . 0.32 112.91 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 27.3 Cg_exo -64.66 -27.72 60.69 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 121.873 1.715 . . . . 0.37 111.678 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -72.62 -40.19 66.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.771 -0.649 . . . . 3.58 110.015 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 17' ' ' PHE . 81.5 mt -62.75 -49.42 83.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.844 -0.616 . . . . 0.38 110.135 178.398 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.39 85.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.62 -0.718 . . . . 0.28 111.205 -179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 23' ' ' ARG . 39.9 ttp180 -67.5 -42.04 83.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.681 -0.691 . . . . 3.36 111.001 -178.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.87 -46.15 75.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.904 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.5 mt -61.8 -42.05 92.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 1.05 110.602 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.45 -35.97 72.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.026 -0.534 . . . . 0.42 110.893 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -67.45 -39.5 85.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.746 -0.661 . . . . 0.86 110.795 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 88.3 mt -73.25 -25.82 60.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.159 -0.473 . . . . 1.69 110.573 -177.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -95.43 10.61 35.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.044 -0.525 . . . . 0.49 110.954 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 58.99 25.18 13.5 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 115.956 -0.565 . . . . 1.44 112.003 175.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 59.08 14.65 3.57 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -81.18 -26.29 36.12 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.274 -0.639 . . . . 4.08 109.274 176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.1 143.43 34.24 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.186 -0.916 . . . . 0.49 108.864 171.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -104.64 135.87 45.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.866 0.365 . . . . 0.89 110.452 -174.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 HG12 ' A' ' 51' ' ' ILE . 45.5 p -111.75 141.66 45.08 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.206 -0.452 . . . . 0.49 110.119 178.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -134.2 123.92 25.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.927 -0.398 . . . . 1.56 109.927 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -90.89 111.15 23.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 116.12 -0.491 . . . . 0.54 111.212 -177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.611 ' O ' ' HA ' ' A' ' 47' ' ' THR . 56.7 t -64.29 103.64 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.256 -1.016 . . . . 0.46 108.256 168.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.25 161.3 32.66 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.597 -0.811 . . . . 0.84 113.101 -171.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -87.27 116.17 25.17 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.039 -0.356 . . . . 2.57 110.039 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -142.53 122.71 2.01 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 111.27 -0.732 . . . . 2.74 111.27 176.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.39 -103.68 1.22 Allowed Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 121.003 -0.618 . . . . 2.95 112.374 178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -151.93 145.57 24.97 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.606 -0.516 . . . . 5.56 109.606 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.39 38.33 29.17 Favored Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.613 -0.803 . . . . 3.24 112.172 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -138.56 90.82 12.64 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 120.892 0.377 . . . . 4.97 110.36 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -75.47 119.0 5.34 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.756 2.304 . . . . 1.87 112.136 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.611 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 13.7 m -66.19 129.58 40.31 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 0.89 111.24 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -167.22 155.86 9.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.58 -0.736 . . . . 1.06 109.516 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.1 p -115.39 122.05 68.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.495 0.664 . . . . 0.36 111.133 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.0 ptp180 -99.15 140.21 33.65 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.549 -0.75 . . . . 2.62 111.136 176.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.454 HG12 HG22 ' A' ' 35' ' ' THR . 21.1 mt -109.61 113.68 44.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.637 -0.71 . . . . 0.42 109.157 176.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' O ' ' HD3' ' A' ' 54' ' ' PRO . 45.7 t -119.33 140.68 42.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 116.075 -0.511 . . . . 0.46 110.371 -176.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.95 100.51 9.99 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.21 -0.45 . . . . 0.93 109.989 175.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 52' ' ' VAL . 3.1 Cg_exo -75.93 55.44 4.43 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 123.147 2.565 . . . . 1.67 112.526 -178.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -142.16 98.39 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.901 -0.591 . . . . 5.54 109.899 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.91 176.52 9.75 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.165 -0.471 . . . . 3.83 110.321 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 60.74 50.26 5.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.225 0.536 . . . . 6.04 110.591 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -119.51 66.47 0.8 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.34 0.59 . . . . 6.46 109.751 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 21.9 t -89.46 67.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.524 0.678 . . . . 5.11 109.666 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -123.25 85.06 2.36 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.545 -0.752 . . . . 5.97 109.335 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.73 -90.99 1.2 Allowed Glycine 0 N--CA 1.447 -0.592 0 N-CA-C 110.536 -1.026 . . . . 1.94 110.536 -172.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -104.25 130.49 52.05 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.201 -0.666 . . . . 2.22 109.201 172.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.42 36.43 0.83 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.038 0.447 . . . . 1.16 111.085 -178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.56 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 67.7 m-70 -117.6 108.17 43.56 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.176 -0.465 . . . . 1.13 110.063 -178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.79 145.36 98.4 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.912 2.408 . . . . 1.08 112.135 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 56.0 tp -60.46 120.67 10.37 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 1.2 110.853 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -146.7 88.16 1.74 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.904 -0.776 . . . . 0.63 108.904 178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 33.7 tp -112.0 135.46 52.62 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.425 -0.807 . . . . 0.32 110.933 -173.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.63 111.57 21.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.257 -0.429 . . . . 0.3 110.316 175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 HD21 HD21 ' A' ' 68' ' ' LEU . 85.1 mt -93.93 121.48 35.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.795 -0.639 . . . . 0.28 110.687 -178.624 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -125.16 149.26 48.09 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.033 -0.358 . . . . 0.75 110.033 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.7 m-90 -124.94 153.99 41.85 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.879 0.371 . . . . 0.32 110.517 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -59.83 129.75 43.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.404 -0.816 . . . . 1.02 110.804 -179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.0 m -57.77 -30.33 65.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.561 -0.745 . . . . 0.74 111.369 -179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -67.18 -44.84 78.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 1.98 110.269 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.89 -41.79 83.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 1.57 110.681 174.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 56.4 mt -59.91 -43.33 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.124 0.488 . . . . 0.4 110.622 176.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -60.81 -42.53 97.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.698 -0.683 . . . . 2.15 110.669 178.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 79' ' ' ARG . 0.2 OUTLIER -57.66 -27.24 62.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.571 -0.74 . . . . 3.96 112.082 -178.345 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 86.8 mt -65.93 -12.63 56.17 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.765 0.317 . . . . 0.55 111.444 -178.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.459 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 84.8 mmm -70.38 -18.27 63.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 2.59 110.959 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -106.37 150.88 25.57 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.645 -0.502 . . . . 2.34 109.645 177.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.11 -26.97 67.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.79 111.511 -176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -66.84 -35.39 79.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.348 0.594 . . . . 1.76 109.947 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.72 -44.4 32.04 Favored Glycine 0 N--CA 1.445 -0.734 0 CA-C-N 115.489 -0.778 . . . . 0.43 111.508 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.28 -37.47 69.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.652 0.263 . . . . 0.57 111.546 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.78 -38.06 89.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.057 0.456 . . . . 0.63 111.155 176.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -68.97 -35.1 76.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.986 -0.552 . . . . 3.71 109.88 -179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -61.4 -41.51 97.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.599 -0.728 . . . . 0.58 110.862 177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 -66.03 -35.12 79.7 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 120.917 0.389 . . . . 2.1 110.773 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -70.08 -27.13 64.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.71 -0.677 . . . . 4.06 110.063 178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -76.27 -36.08 58.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.785 -0.643 . . . . 0.64 110.302 179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' HA ' ' HG ' ' A' ' 96' ' ' LEU . 94.7 mt -60.4 -41.0 92.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.365 0.603 . . . . 0.48 110.121 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.48 -20.13 65.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.41 -0.814 . . . . 0.44 111.601 178.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.76 2.39 38.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.399 -0.364 . . . . 0.4 111.66 -176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 80.7 mt -50.86 -50.55 73.47 Favored Pre-proline 0 CA--C 1.538 0.484 0 N-CA-C 112.716 0.635 . . . . 0.56 112.716 -179.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.1 -29.77 87.92 Favored 'Trans proline' 0 C--N 1.353 0.767 0 C-N-CA 122.02 1.813 . . . . 0.46 112.557 178.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -79.52 -36.25 38.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.131 0.491 . . . . 4.22 110.217 -177.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -68.53 -41.77 79.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.659 -0.7 . . . . 1.52 109.302 176.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.558 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.9 tp -55.88 -50.44 70.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.828 -1.078 . . . . 1.58 110.279 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.78 85.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.669 -0.696 . . . . 0.41 111.19 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.86 -44.31 96.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.153 -0.476 . . . . 0.35 111.023 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 21.0 m0 -66.6 -33.83 76.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.332 -0.395 . . . . 0.44 110.758 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.0 mt-10 -61.55 -51.19 69.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.853 0.359 . . . . 0.62 110.598 178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -69.25 -40.99 77.54 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.771 -0.65 . . . . 2.01 111.642 -177.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.99 -34.51 22.36 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.675 0.62 . . . . 0.66 112.675 -172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.9 mmm180 -104.82 1.51 29.16 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.615 0.598 . . . . 1.35 112.615 -173.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 70.56 50.45 25.7 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.67 -0.776 . . . . 0.5 112.554 176.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 45.8 t -124.88 142.57 41.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.591 -0.522 . . . . 0.46 109.591 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -124.07 99.57 6.3 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.525 -0.546 . . . . 0.84 109.525 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -74.07 -11.47 60.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.063 0.394 . . . . 0.9 112.063 -177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.9 -47.33 25.71 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.323 -0.941 . . . . 0.89 111.224 175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 33.1 t -86.51 -9.08 56.94 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.014 0.435 . . . . 1.38 110.634 177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 38.3 mtm-85 59.44 40.53 20.65 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.524 -0.762 . . . . 2.7 110.604 -177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 13.7 p -131.95 165.63 23.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.956 -1.02 . . . . 0.8 110.68 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.56 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 23.5 pt20 -135.23 151.06 50.25 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.19 -0.459 . . . . 1.21 110.097 -178.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -86.83 3.43 45.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.39 0.614 . . . . 0.84 110.368 178.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -111.07 169.19 8.94 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.321 -0.854 . . . . 1.07 109.41 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -89.73 -19.57 24.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.342 -0.39 . . . . 0.91 110.508 179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 51.8 tp -169.72 126.53 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.47 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.8 p -117.56 99.79 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 122.01 0.91 . . . . 0.5 111.618 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 32.1 mt -108.35 106.17 16.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.156 -0.929 . . . . 0.73 109.249 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.5 mt -96.4 117.73 31.46 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.296 0.569 . . . . 0.37 111.608 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -112.26 167.63 12.45 Favored Glycine 0 N--CA 1.445 -0.744 0 CA-C-N 115.326 -0.852 . . . . 0.34 112.3 176.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 74.23 26.66 67.79 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 121.039 -0.6 . . . . 0.4 113.029 175.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -77.69 144.73 37.08 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.236 0.541 . . . . 0.39 111.457 177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -116.02 175.18 5.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.112 -0.949 . . . . 1.11 109.185 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -109.47 23.61 14.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.261 0.553 . . . . 0.61 110.408 176.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -88.66 125.55 34.89 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.656 -0.702 . . . . 3.0 110.283 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.703 -0.665 . . . . 2.26 110.135 178.839 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 111.577 -0.609 . . . . 9.84 111.577 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.83 -63.01 1.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 8.62 110.569 -177.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 22.0 ptm -99.69 43.98 1.04 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.028 -0.533 . . . . 9.31 110.316 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.04 19.23 12.04 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.689 -0.767 . . . . 5.55 112.41 -179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.3 mtt -126.71 103.96 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.809 0.338 . . . . 6.19 110.644 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 t -127.08 76.88 75.88 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 121.019 0.437 . . . . 2.78 110.148 178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -85.34 117.02 1.78 Allowed 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.605 2.203 . . . . 1.35 112.248 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -72.36 -35.18 68.44 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.096 0.475 . . . . 2.18 110.046 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 86.5 m -64.68 -51.07 64.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.633 -0.712 . . . . 0.74 111.153 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.1 84.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.429 . . . . 0.6 111.082 -178.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -66.97 -41.92 86.02 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.228 -0.442 . . . . 3.56 110.878 -178.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.622 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 19.4 ttm180 -66.76 -37.5 84.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.301 -0.409 . . . . 3.49 110.274 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -65.51 -44.39 87.13 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.227 -0.442 . . . . 0.51 109.856 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -60.14 -37.57 80.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.71 -0.677 . . . . 0.87 112.001 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.462 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 6.1 p -92.16 -42.92 9.63 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.02 0.748 . . . . 1.51 113.02 -173.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -96.8 -45.24 6.73 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.517 0.562 . . . . 1.81 112.517 -174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' ILE . 30.8 m-85 -86.8 -52.64 5.38 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.144 0.424 . . . . 0.72 112.144 -169.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.8 -46.37 99.86 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 112.823 0.675 . . . . 0.32 112.823 -174.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.462 ' HG2' ' O ' ' A' ' 15' ' ' THR . 36.0 Cg_exo -61.8 -31.37 85.51 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.882 1.721 . . . . 0.37 111.973 176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -70.76 -41.09 72.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.912 -0.586 . . . . 3.58 109.423 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 17' ' ' PHE . 71.5 mt -66.56 -47.74 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.543 -0.753 . . . . 0.38 110.297 178.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.87 95.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.96 -0.564 . . . . 0.28 111.562 -177.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -70.76 -34.77 72.17 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.111 -0.495 . . . . 3.36 110.533 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.96 -44.98 79.11 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.669 179.13 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.8 mt -62.93 -45.6 98.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.792 -0.64 . . . . 1.05 110.646 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.29 -38.7 80.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.134 0.492 . . . . 0.42 110.576 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -69.63 -41.45 75.62 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.501 -0.772 . . . . 0.86 110.85 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 57.3 tp -67.92 -37.03 81.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.768 -0.651 . . . . 1.69 110.639 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -87.09 8.42 23.68 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 0.49 111.159 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 55.7 35.27 24.97 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.125 -0.489 . . . . 1.44 111.276 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 57.64 26.37 12.84 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.717 -0.674 . . . . 1.25 112.572 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -77.36 -20.56 54.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.349 0.595 . . . . 4.08 109.749 173.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -127.58 153.23 46.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.209 -0.905 . . . . 0.49 109.606 176.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -106.85 133.63 51.22 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 109.765 -0.457 . . . . 0.89 109.765 -179.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -111.14 149.77 30.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 116.551 -0.295 . . . . 0.49 110.517 -179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -132.19 132.97 43.67 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.494 -0.321 . . . . 1.56 110.16 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.55 101.73 10.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.091 -0.504 . . . . 0.54 109.837 176.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 47' ' ' THR . 61.6 t -72.01 111.65 6.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 115.501 -0.772 . . . . 0.46 109.364 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -75.44 170.87 54.4 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.98 -0.629 . . . . 0.84 112.927 -174.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.567 ' CZ ' ' HA2' ' A' ' 42' ' ' GLY . 86.6 t80 -86.21 113.9 22.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.94 0.4 . . . . 2.57 110.495 -177.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -93.1 -29.58 10.22 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.669 -0.777 . . . . 2.74 111.561 177.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.567 ' HA2' ' CZ ' ' A' ' 40' ' ' TYR . . . 97.65 -41.42 2.3 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.886 -0.673 . . . . 2.95 112.889 176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -105.16 72.42 0.99 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.99 0.424 . . . . 5.56 110.037 -174.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.05 22.16 57.89 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.742 -0.742 . . . . 3.24 111.969 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 39.8 m-70 -133.12 86.96 40.75 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-O 120.667 0.27 . . . . 4.97 110.322 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -83.71 153.84 13.43 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 122.801 2.334 . . . . 1.87 112.077 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 17.6 m -75.25 131.73 40.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.791 -0.64 . . . . 0.89 110.608 178.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.481 ' HB3' HG22 ' A' ' 71' ' ' THR . 23.9 pt20 -164.75 160.61 19.89 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.99 -0.55 . . . . 1.06 110.196 -178.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -113.17 119.7 61.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.522 0.677 . . . . 0.36 110.244 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.0 ptt180 -97.12 141.55 30.13 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.451 -0.795 . . . . 2.62 110.792 179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.499 HD12 HD23 ' A' ' 68' ' ' LEU . 36.3 mt -109.69 112.26 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.747 -0.66 . . . . 0.42 109.22 175.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 57.8 t -112.75 124.6 69.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.93 -0.577 . . . . 0.46 109.556 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.5 ' HB1' ' HB3' ' A' ' 114' ' ' ARG . . . -110.2 107.63 58.66 Favored Pre-proline 0 C--N 1.316 -0.885 0 CA-C-N 116.176 -0.465 . . . . 0.93 111.139 -176.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -60.27 142.85 99.16 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.581 2.187 . . . . 1.67 111.565 177.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 23.4 p80 -114.34 129.92 56.66 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.367 -0.378 . . . . 5.54 110.46 -178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 57' ' ' GLU . . . -85.03 142.71 29.39 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 108.565 -0.902 . . . . 3.83 108.565 170.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 56' ' ' ALA . 3.3 mp0 70.02 141.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 O-C-N 123.879 0.737 . . . . 6.04 110.28 -173.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -81.03 -28.02 35.57 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 6.46 111.396 -173.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 18.9 m -116.16 132.84 64.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.122 0.487 . . . . 5.11 111.009 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -139.89 -171.51 3.18 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.991 -0.744 . . . . 5.97 108.991 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.02 -44.99 90.42 Favored Glycine 0 N--CA 1.454 -0.164 0 C-N-CA 120.3 -0.952 . . . . 1.94 111.102 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -102.1 134.59 45.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.663 -0.495 . . . . 2.22 109.663 175.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -90.09 -8.46 51.34 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.458 -0.337 . . . . 1.16 111.637 -177.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -107.02 110.63 63.64 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 116.509 -0.314 . . . . 1.13 110.818 179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -70.72 151.19 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.711 2.274 . . . . 1.08 110.852 174.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 51.8 tp -58.8 116.79 3.98 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.889 0.376 . . . . 1.2 111.874 -176.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.404 HD22 HD11 ' A' ' 120' ' ' LEU . 3.3 t30 -134.42 99.08 4.26 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.028 -0.73 . . . . 0.63 109.028 170.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.499 HD23 HD12 ' A' ' 51' ' ' ILE . 44.8 tp -112.32 134.6 53.77 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.996 -0.547 . . . . 0.32 110.838 -175.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.443 ' HB1' ' OE1' ' A' ' 48' ' ' GLN . . . -115.44 112.05 21.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.297 -0.41 . . . . 0.3 110.43 174.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.8 mt -94.88 119.34 33.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.808 -0.633 . . . . 0.28 110.865 -178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.481 HG22 ' HB3' ' A' ' 48' ' ' GLN . 12.9 p -124.11 149.42 46.23 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.977 -0.379 . . . . 0.75 109.977 175.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.0 m-90 -126.29 151.43 47.52 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.964 0.411 . . . . 0.32 110.363 -178.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.435 ' HB2' ' HG2' ' A' ' 76' ' ' GLU . 92.4 m-20 -57.79 123.87 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.201 -0.908 . . . . 1.02 110.608 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 16.1 m -56.88 -30.63 64.05 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.721 -0.672 . . . . 0.74 111.66 -176.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -63.87 -49.46 72.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.326 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.466 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.7 mm-40 -61.25 -33.02 72.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 1.57 110.872 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.2 mt -60.51 -42.93 93.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.014 0.435 . . . . 0.4 110.476 173.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -68.13 -33.66 74.9 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.984 -0.553 . . . . 2.15 110.063 178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 29.9 tpt180 -58.58 -33.02 69.5 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.592 -0.731 . . . . 3.96 111.012 174.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 82.0 mt -71.55 -14.04 61.97 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.958 0.408 . . . . 0.55 111.251 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.622 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 20.8 mmt -87.32 -3.36 59.03 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.234 -0.439 . . . . 2.59 110.412 -178.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.419 ' OE2' ' HD2' ' A' ' 79' ' ' ARG . 38.4 mt-10 -90.85 168.72 11.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.083 -0.508 . . . . 2.34 110.058 178.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.78 -51.63 68.78 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.705 0.288 . . . . 0.79 111.304 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 -73.37 -4.74 35.32 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 121.067 0.461 . . . . 1.76 110.859 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -80.95 -54.93 3.45 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.552 -0.619 . . . . 0.43 111.552 -177.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.39 -38.14 68.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.57 111.068 174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.1 -37.52 83.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.023 -0.535 . . . . 0.63 111.113 176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -71.41 -31.08 66.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.291 -0.413 . . . . 3.71 110.468 -178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -65.98 -39.26 90.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.384 -0.371 . . . . 0.58 110.573 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -63.49 -42.64 98.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.325 0.583 . . . . 2.1 109.498 177.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.4 tpt180 -61.67 -32.73 72.92 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.198 -0.91 . . . . 4.06 110.964 176.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -72.34 -32.27 66.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.64 110.371 -178.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 85.7 mt -63.69 -38.97 93.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.235 0.541 . . . . 0.48 110.651 178.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.81 -24.85 62.63 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.897 -0.592 . . . . 0.44 111.346 179.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.63 -3.98 48.55 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.4 111.733 -176.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.503 ' O ' HD23 ' A' ' 100' ' ' LEU . 68.7 mt -49.87 -52.76 49.12 Favored Pre-proline 0 CA--C 1.536 0.428 0 N-CA-C 112.882 0.697 . . . . 0.56 112.882 -179.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -57.07 -34.61 98.02 Favored 'Trans proline' 0 C--N 1.354 0.821 0 C-N-CA 122.139 1.892 . . . . 0.46 112.252 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 98' ' ' ARG . 8.4 ttp180 -77.65 -33.31 53.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.685 -0.689 . . . . 4.22 110.639 -176.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -69.27 -46.68 66.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.52 110.112 176.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.547 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -57.09 -43.82 82.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.706 -0.679 . . . . 1.58 110.732 178.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.81 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.41 111.173 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.58 -41.11 93.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.479 . . . . 0.35 111.054 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.7 m0 -67.33 -29.9 69.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.44 110.99 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.9 mt-10 -60.47 -50.52 73.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.049 0.452 . . . . 0.62 110.387 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -70.78 -42.4 70.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.507 -0.77 . . . . 2.01 111.346 -176.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.33 -22.04 35.76 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 113.109 0.781 . . . . 0.66 113.109 -172.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.4 mmm180 -117.88 4.09 12.19 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.889 0.7 . . . . 1.35 112.889 -175.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 65.28 47.21 82.49 Favored Glycine 0 C--N 1.329 0.17 0 C-N-CA 120.22 -0.99 . . . . 0.5 111.708 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 90.1 t -123.72 145.82 30.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.383 -0.599 . . . . 0.46 109.383 -174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.2 111.69 12.15 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.956 -0.387 . . . . 0.84 109.956 177.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -82.93 -10.38 58.83 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.392 -0.367 . . . . 0.9 111.43 -176.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -80.7 -53.35 4.05 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.605 -0.807 . . . . 0.89 111.352 177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 18.3 t -79.16 -15.84 57.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.263 0.554 . . . . 1.38 110.068 178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.5 ' HB3' ' HB1' ' A' ' 53' ' ' ALA . 87.1 mtm180 66.58 36.86 4.7 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 114.974 -1.012 . . . . 2.7 111.578 174.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.1 p -129.85 162.36 28.72 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.247 -0.888 . . . . 0.8 110.313 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -141.22 151.24 43.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.051 0.453 . . . . 1.21 111.077 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -85.23 -16.62 39.61 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.584 -0.735 . . . . 0.84 111.184 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -91.13 170.31 10.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.094 -0.503 . . . . 1.07 111.021 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -75.13 -60.5 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.633 -0.506 . . . . 0.91 109.633 173.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.404 HD11 HD22 ' A' ' 67' ' ' ASN . 59.7 tp -138.39 134.06 33.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.567 177.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.412 HG13 ' HA ' ' A' ' 68' ' ' LEU . 7.7 p -112.49 102.99 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 121.974 0.892 . . . . 0.5 110.872 -176.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 46.6 mt -108.69 108.07 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.197 -0.911 . . . . 0.73 109.835 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.43 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.8 mt -94.2 110.55 22.27 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.047 0.451 . . . . 0.37 110.837 -177.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.64 168.96 12.72 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.827 -0.624 . . . . 0.34 112.062 177.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.425 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.05 21.43 75.48 Favored Glycine 0 C--O 1.227 -0.282 0 C-N-CA 121.016 -0.611 . . . . 0.4 113.3 178.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.7 mp -72.31 147.5 46.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.289 0.566 . . . . 0.39 111.614 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -120.61 163.2 18.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.141 -0.936 . . . . 1.11 109.146 179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -100.15 23.86 9.43 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.063 0.459 . . . . 0.61 110.915 -178.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -72.5 108.41 5.55 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.775 -0.648 . . . . 3.0 110.292 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.867 0 CA-C-O 118.593 -0.717 . . . . 2.26 110.435 -177.179 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.637 0 N-CA-C 111.768 -0.533 . . . . 9.84 111.768 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.47 -41.66 10.16 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.894 0.378 . . . . 8.62 110.899 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.58 ' HB3' ' SD ' ' A' ' 5' ' ' MET . 23.9 mmt -111.11 -84.09 0.57 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.312 -0.404 . . . . 9.31 110.651 -177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.63 45.45 35.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.712 -0.756 . . . . 5.55 112.725 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.58 ' SD ' ' HB3' ' A' ' 3' ' ' MET . 0.0 OUTLIER -112.14 19.55 17.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.186 0.517 . . . . 6.19 110.291 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 m 58.29 71.26 1.05 Allowed Pre-proline 0 CA--C 1.53 0.191 0 CA-C-N 115.16 -0.927 . . . . 2.78 111.061 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.0 -22.29 73.7 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.56 2.173 . . . . 1.35 111.706 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' OD2' ' HD2' ' A' ' 12' ' ' ARG . 27.4 t70 -71.72 -39.37 70.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.508 -0.769 . . . . 2.18 110.111 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.9 m -62.95 -50.23 71.61 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.883 -0.599 . . . . 0.74 110.696 178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.05 95.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.808 -0.633 . . . . 0.6 111.427 -178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 11' ' ' ARG . 45.9 ttm180 -68.06 -43.47 78.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.166 -0.47 . . . . 3.56 111.359 -176.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.401 ' HD2' ' OD2' ' A' ' 8' ' ' ASP . 45.0 mtt180 -65.55 -37.07 85.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.225 -0.443 . . . . 3.49 111.476 -178.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -65.78 -42.4 90.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.893 0.377 . . . . 0.51 110.196 177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -64.8 -35.25 80.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.695 -0.684 . . . . 0.87 111.724 -178.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.7 p -92.12 -42.84 9.7 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.878 0.696 . . . . 1.51 112.878 -174.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -90.95 -43.49 9.94 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.352 0.501 . . . . 1.81 112.352 -174.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.423 ' O ' HG13 ' A' ' 21' ' ' ILE . 81.2 m-85 -96.06 -49.53 5.22 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.739 0.644 . . . . 0.72 112.739 -169.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -53.35 -49.03 90.42 Favored Pre-proline 0 CA--C 1.54 0.562 0 N-CA-C 113.271 0.841 . . . . 0.32 113.271 -173.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 31.6 Cg_exo -61.63 -30.34 85.51 Favored 'Trans proline' 0 C--N 1.357 0.991 0 C-N-CA 121.756 1.637 . . . . 0.37 112.28 178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -74.98 -40.34 60.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 3.58 110.116 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 17' ' ' PHE . 72.5 mt -61.25 -48.8 87.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 0.38 110.006 177.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.6 77.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.28 111.399 -179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -71.34 -43.49 66.89 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.089 -0.505 . . . . 3.36 111.438 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.1 93.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.25 0.547 . . . . 0.35 110.482 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -63.69 -43.16 97.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.566 -0.743 . . . . 1.05 110.912 177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.9 89.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.42 111.147 -179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -70.76 -35.89 72.84 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.86 110.578 179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 53.5 tp -66.57 -35.63 80.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.995 -0.548 . . . . 1.69 110.01 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.5 mt -87.08 12.26 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.636 -0.711 . . . . 0.49 111.056 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.3 m120 56.43 30.25 16.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.211 -0.449 . . . . 1.44 111.351 177.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 36.5 m80 60.93 20.95 11.25 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.783 -0.644 . . . . 1.25 112.064 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.44 -21.83 48.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.114 0.483 . . . . 4.08 110.239 177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.26 146.62 42.24 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.601 -0.727 . . . . 0.49 109.667 175.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -102.61 128.74 49.15 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 116.02 -0.536 . . . . 0.89 109.598 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.5 HG22 HG12 ' A' ' 51' ' ' ILE . 50.9 p -111.45 145.76 38.42 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.793 0.33 . . . . 0.49 110.811 -178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -132.82 148.25 52.31 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.777 -0.453 . . . . 1.56 109.777 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.2 t -99.86 115.11 40.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.181 -0.463 . . . . 0.54 110.376 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 47' ' ' THR . 54.6 t -96.16 101.75 12.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 108.564 -0.902 . . . . 0.46 108.564 173.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.8 173.16 24.36 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.097 -1.049 . . . . 0.84 113.672 -170.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -75.34 127.12 32.43 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.387 -0.406 . . . . 2.57 110.214 177.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -116.04 -113.45 2.82 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.939 -0.648 . . . . 2.74 111.817 177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.63 -66.82 1.14 Allowed Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 120.756 -0.735 . . . . 2.95 112.388 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -144.85 143.75 30.77 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.701 -0.294 . . . . 5.56 110.997 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.91 38.42 95.37 Favored Glycine 0 N--CA 1.454 -0.157 0 CA-C-N 115.753 -0.658 . . . . 3.24 113.231 174.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -136.1 76.09 52.3 Favored Pre-proline 0 C--N 1.323 -0.568 0 O-C-N 122.661 -0.317 . . . . 4.97 110.198 -178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.87 146.22 87.56 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.018 2.479 . . . . 1.87 112.01 -178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.584 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 25.8 m -82.07 130.06 34.98 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.158 -0.474 . . . . 0.89 111.101 -178.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -164.03 159.79 21.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.569 . . . . 1.06 109.519 -178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.2 p -114.37 125.22 71.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.31 0.576 . . . . 0.36 110.4 178.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -97.64 131.98 43.71 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.729 -0.669 . . . . 2.62 110.321 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.553 HD12 HD23 ' A' ' 68' ' ' LEU . 38.4 mt -112.56 114.47 47.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 109.125 -0.694 . . . . 0.42 109.125 177.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 44.8 t -122.62 143.86 33.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.978 -0.556 . . . . 0.46 110.517 -175.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.99 95.01 36.51 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 109.558 -0.534 . . . . 0.93 109.558 176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -81.97 159.87 18.36 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 122.428 2.085 . . . . 1.67 112.467 -177.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.6 m80 68.41 24.54 7.18 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.448 -0.796 . . . . 5.54 110.803 177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -77.36 123.34 26.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.079 -0.51 . . . . 3.83 110.166 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -70.92 123.42 21.98 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.61 -0.515 . . . . 6.04 109.61 -177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -123.77 43.36 2.99 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.057 0.456 . . . . 6.46 110.902 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 67.3 t -81.99 -50.16 16.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.84 -0.618 . . . . 5.11 110.601 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -141.68 154.29 45.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.054 -0.521 . . . . 5.97 110.049 -177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.6 -115.01 5.1 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.984 -0.846 . . . . 1.94 110.984 -177.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -104.66 123.1 47.0 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.077 -0.712 . . . . 2.22 109.077 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.47 20.27 11.97 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.941 0.401 . . . . 1.16 111.207 -175.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 90.4 m-70 -106.54 111.03 64.16 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 116.012 -0.54 . . . . 1.13 110.197 -178.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.71 136.31 61.59 Favored 'Trans proline' 0 N--CA 1.464 -0.226 0 C-N-CA 122.691 2.261 . . . . 1.08 111.417 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.0 tt -68.23 119.39 12.72 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.781 0.324 . . . . 1.2 110.52 -176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.534 HD22 HD11 ' A' ' 120' ' ' LEU . 7.3 t30 -138.69 138.64 37.94 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.962 -0.755 . . . . 0.63 108.962 175.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.553 HD23 HD12 ' A' ' 51' ' ' ILE . 30.4 tp -146.54 129.31 16.21 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.558 -0.534 . . . . 0.32 109.558 -171.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 109.07 17.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.24 -0.436 . . . . 0.3 110.748 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.6 mt -94.81 116.79 29.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.922 -0.581 . . . . 0.28 110.32 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.604 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 77.8 p -124.48 149.06 47.27 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.318 -0.623 . . . . 0.75 109.318 175.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.6 m-90 -125.32 150.53 47.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.159 0.504 . . . . 0.32 111.123 -175.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.429 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.9 m-20 -60.71 139.16 57.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.908 -1.042 . . . . 1.02 111.212 -179.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 1.4 m -59.42 -28.19 66.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.884 -1.053 . . . . 0.74 111.476 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -63.54 -47.62 80.85 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 109.764 -0.458 . . . . 1.98 109.764 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.519 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 15.3 mm-40 -57.37 -47.46 81.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.288 -0.869 . . . . 1.57 110.666 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 54.4 mt -55.87 -46.06 80.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.929 -0.578 . . . . 0.4 111.574 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -67.4 -37.64 83.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.118 0.485 . . . . 2.15 110.739 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.534 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 95.4 mtt180 -63.69 -28.22 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.712 . . . . 3.96 111.742 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.519 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 74.8 mt -65.46 -18.2 65.13 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.841 0.311 . . . . 0.55 111.841 -178.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 90.4 mmm -86.03 1.12 51.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 2.59 111.05 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -103.14 165.12 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.105 -0.498 . . . . 2.34 109.973 178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.87 -46.62 88.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.915 0.388 . . . . 0.79 110.708 178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.9 -18.77 64.54 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.903 -0.59 . . . . 1.76 110.864 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.534 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -78.0 -49.13 7.19 Favored Glycine 0 N--CA 1.442 -0.936 0 N-CA-C 111.409 -0.676 . . . . 0.43 111.409 -178.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -41.66 74.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.668 0.271 . . . . 0.57 111.026 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.79 -39.68 89.82 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.021 0.439 . . . . 0.63 111.102 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.492 ' NH2' ' HG2' ' A' ' 91' ' ' ARG . 2.7 tpm_? -65.91 -35.96 82.08 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.624 -0.716 . . . . 3.71 109.778 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.431 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 47.9 t80 -70.33 -41.62 72.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.451 -0.795 . . . . 0.58 111.069 -177.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.04 -45.76 89.94 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.279 0.562 . . . . 2.1 110.065 178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.492 ' HG2' ' NH2' ' A' ' 88' ' ' ARG . 21.7 tpt180 -65.1 -29.65 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.285 -0.87 . . . . 4.06 110.935 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -74.09 -37.09 64.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.306 -0.407 . . . . 0.64 109.944 -177.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.4 mt -64.2 -44.08 93.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.031 -0.531 . . . . 0.48 110.3 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.12 -18.41 64.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.86 -0.609 . . . . 0.44 111.803 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.06 -0.63 30.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.672 -0.24 . . . . 0.4 111.63 -177.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.7 mt -51.59 -52.19 62.66 Favored Pre-proline 0 CA--C 1.537 0.444 0 N-CA-C 112.805 0.668 . . . . 0.56 112.805 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 21.6 Cg_endo -61.0 -28.88 86.93 Favored 'Trans proline' 0 C--N 1.355 0.884 0 C-N-CA 121.889 1.726 . . . . 0.46 112.54 179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.5 mmm180 -76.86 -43.39 36.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.949 -0.569 . . . . 4.22 110.526 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 39.1 tttp -73.6 -31.59 63.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.791 -0.64 . . . . 1.52 109.569 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.5 tp -60.97 -49.12 78.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.316 -0.857 . . . . 1.58 110.024 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.32 -34.95 74.53 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.647 -0.706 . . . . 0.41 110.825 178.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.39 -39.43 85.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.654 -0.703 . . . . 0.35 111.022 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 22.4 m0 -68.95 -42.5 76.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.44 110.929 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -57.15 -50.64 72.17 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 121.078 0.466 . . . . 0.62 110.806 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -64.63 -34.61 78.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.333 -0.849 . . . . 2.01 111.73 -177.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.51 -47.55 9.16 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.653 0.612 . . . . 0.66 112.653 -173.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 107' ' ' ARG . 8.7 mmm180 -93.54 -3.96 51.87 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.621 0.6 . . . . 1.35 112.621 -170.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 77.03 52.13 5.88 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.262 -0.971 . . . . 0.5 111.976 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 70.4 t -125.22 142.43 42.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 109.103 -0.703 . . . . 0.46 109.103 -177.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -137.53 106.83 6.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.331 0.586 . . . . 0.84 110.863 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -75.33 -6.65 51.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.622 -0.717 . . . . 0.9 111.845 -176.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -84.25 -34.84 16.18 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.281 -0.962 . . . . 0.89 111.826 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 m -93.14 -8.71 41.82 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.461 0.172 . . . . 1.38 111.224 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 68.02 13.16 9.07 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.131 0.491 . . . . 2.7 110.705 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 32.2 p -129.38 175.55 8.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.721 -0.672 . . . . 0.8 110.108 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.483 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 4.1 pt20 -142.42 147.04 35.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.897 0.379 . . . . 1.21 110.335 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -82.03 -14.64 55.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.751 -0.659 . . . . 0.84 110.191 178.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.63 171.05 10.76 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.634 -0.712 . . . . 1.07 109.244 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -80.2 -41.63 24.84 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.827 0.346 . . . . 0.91 110.518 178.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.534 HD11 HD22 ' A' ' 67' ' ' ASN . 53.9 tp -168.72 135.6 1.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.314 -0.625 . . . . 1.0 109.314 -175.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -114.62 98.59 7.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.973 0.892 . . . . 0.5 111.476 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 59.9 mt -104.4 102.44 12.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.413 -0.812 . . . . 0.73 109.959 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.538 ' HB3' HD11 ' A' ' 126' ' ' LEU . 81.6 mt -91.01 110.02 21.27 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.216 0.531 . . . . 0.37 111.673 -176.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.604 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -109.71 160.89 13.22 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.725 -0.671 . . . . 0.34 112.107 176.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.429 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 67.14 32.22 79.75 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 121.008 -0.615 . . . . 0.4 113.711 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.538 HD11 ' HB3' ' A' ' 123' ' ' LEU . 8.6 mp -78.26 151.24 33.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.143 0.497 . . . . 0.39 111.736 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.01 165.16 19.3 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.306 -0.861 . . . . 1.11 108.898 179.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.432 ' CD1' ' HB3' ' A' ' 76' ' ' GLU . 74.4 m-85 -94.89 28.41 2.74 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.496 0.665 . . . . 0.61 110.105 178.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.05 107.68 8.43 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.119 -0.946 . . . . 3.0 109.631 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.807 -0.633 . . . . 2.26 109.835 -177.294 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.74 0 N-CA-C 111.771 -0.532 . . . . 9.84 111.771 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 58.24 43.28 20.55 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.157 0.503 . . . . 8.62 111.282 178.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.9 mmm -79.16 -30.39 43.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.472 . . . . 9.31 110.113 179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.09 47.92 3.75 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 111.235 -0.746 . . . . 5.55 111.235 175.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 45.5 ttm -145.23 122.19 11.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.406 -0.397 . . . . 6.19 109.979 -175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -135.63 127.42 17.53 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.726 0.298 . . . . 2.78 110.281 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -69.29 -14.59 37.83 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.551 2.167 . . . . 1.35 112.284 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -29.98 58.11 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.27 -0.641 . . . . 2.18 109.27 178.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 30.9 m -67.29 -50.18 61.33 Favored 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 115.4 -0.818 . . . . 0.74 110.378 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.18 -45.36 94.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.629 -0.714 . . . . 0.6 111.414 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -67.31 -33.78 75.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 3.56 110.83 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -65.17 -49.08 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.052 -0.522 . . . . 3.49 110.644 -179.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -63.78 -40.79 97.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.327 -0.397 . . . . 0.51 109.951 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HA ' HG21 ' A' ' 47' ' ' THR . 7.3 t70 -53.58 -43.18 68.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.091 -0.959 . . . . 0.87 112.029 179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -101.97 -37.14 8.35 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.211 0.819 . . . . 1.51 113.211 -171.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -91.86 -43.89 9.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.557 0.577 . . . . 1.81 112.557 -172.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -99.26 -46.13 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.634 0.605 . . . . 0.72 112.634 -170.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.476 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.59 -48.76 94.27 Favored Pre-proline 0 CA--C 1.541 0.613 0 N-CA-C 113.02 0.748 . . . . 0.32 113.02 -175.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.476 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 52.1 Cg_exo -59.2 -27.79 85.98 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.079 1.853 . . . . 0.37 112.73 178.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 mmm180 -70.57 -37.96 74.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 3.58 110.171 178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -69.21 -47.65 72.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.791 -0.64 . . . . 0.38 110.233 -179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.08 -44.63 96.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.608 -0.723 . . . . 0.28 112.056 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -70.72 -33.37 70.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.713 0.292 . . . . 3.36 110.762 -177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.72 -46.61 74.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.357 -0.383 . . . . 0.35 110.57 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 69.7 mt -65.0 -40.13 88.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.918 -0.583 . . . . 1.05 110.612 178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.45 -43.92 93.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.996 -0.547 . . . . 0.42 110.971 179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -68.21 -35.42 77.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.165 -0.471 . . . . 0.86 110.842 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.8 tp -67.4 -34.83 78.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.846 -0.615 . . . . 1.69 110.388 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 77.7 mt -96.28 13.53 27.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.996 -0.547 . . . . 0.49 110.556 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.6 m120 53.35 33.92 16.78 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.646 -0.706 . . . . 1.44 111.923 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 22.8 m80 56.84 25.19 10.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.91 -0.586 . . . . 1.25 112.351 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -86.26 -16.89 36.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.36 0.6 . . . . 4.08 109.836 176.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -123.66 141.33 52.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.266 -0.879 . . . . 0.49 108.905 172.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -89.56 124.47 34.57 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.833 0.349 . . . . 0.89 110.645 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.521 HG22 HG12 ' A' ' 51' ' ' ILE . 50.6 p -111.05 138.31 47.63 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.66 -0.496 . . . . 0.49 109.66 177.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -139.46 134.45 32.34 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.696 -0.401 . . . . 1.56 111.029 -176.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.5 t -85.83 105.23 14.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.553 -0.749 . . . . 0.54 110.853 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 47' ' ' THR . 60.4 t -72.25 109.28 4.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.647 -0.871 . . . . 0.46 108.647 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -71.61 169.55 49.94 Favored Glycine 0 N--CA 1.444 -0.803 0 C-N-CA 120.829 -0.7 . . . . 0.84 112.387 -176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -73.36 113.63 10.66 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.609 -0.515 . . . . 2.57 109.609 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -114.35 52.58 0.64 Allowed Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.887 -0.673 . . . . 2.74 112.096 -176.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.71 171.73 45.01 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.921 -0.657 . . . . 2.95 111.761 -179.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -72.7 108.41 5.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.245 0.545 . . . . 5.56 109.92 -178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 128.72 -15.78 5.93 Favored Glycine 0 N--CA 1.443 -0.87 0 CA-C-N 115.173 -0.922 . . . . 3.24 110.835 -173.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 53.1 m-70 -124.88 79.03 64.87 Favored Pre-proline 0 C--N 1.327 -0.38 0 N-CA-C 109.601 -0.518 . . . . 4.97 109.601 176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.24 147.34 29.34 Favored 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 123.076 2.517 . . . . 1.87 112.073 -176.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.469 HG21 ' HA ' ' A' ' 14' ' ' ASP . 12.0 m -60.61 132.93 55.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.842 -0.617 . . . . 0.89 110.748 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -156.01 149.2 24.48 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 1.06 109.955 -176.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -108.2 118.49 55.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 CA-C-O 121.515 0.674 . . . . 0.36 109.7 176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 14.4 ptp180 -108.79 142.51 39.25 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.649 -0.705 . . . . 2.62 111.771 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.521 HG12 HG22 ' A' ' 35' ' ' THR . 22.8 mt -108.93 112.26 39.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.042 -0.981 . . . . 0.42 109.209 179.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 66' ' ' LEU . 38.2 t -116.71 139.32 44.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.129 -0.487 . . . . 0.46 110.141 -177.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 93.26 20.68 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 116.313 -0.403 . . . . 0.93 110.342 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -82.94 70.66 6.67 Favored 'Trans proline' 0 N--CA 1.455 -0.762 0 C-N-CA 122.531 2.154 . . . . 1.67 111.865 -177.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -137.87 57.68 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.911 -0.586 . . . . 5.54 110.532 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -80.81 -1.91 45.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.975 -0.557 . . . . 3.83 110.197 176.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -56.44 -34.32 66.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.026 -0.988 . . . . 6.04 111.078 178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -145.92 88.6 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 6.46 110.393 -178.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.21 79.58 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.374 0.607 . . . . 5.11 110.542 175.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -93.74 -6.04 47.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.993 -0.549 . . . . 5.97 111.238 -177.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -88.51 -94.89 1.02 Allowed Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 110.732 -0.947 . . . . 1.94 110.732 174.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -103.71 124.11 48.26 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.235 -0.654 . . . . 2.22 109.235 172.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.35 49.33 1.65 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.372 0.606 . . . . 1.16 110.067 178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -120.04 90.14 43.78 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.531 -0.759 . . . . 1.13 109.617 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -64.99 145.9 86.43 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.272 1.981 . . . . 1.08 111.543 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 52' ' ' VAL . 57.6 tp -63.22 122.24 15.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.934 -0.576 . . . . 1.2 110.439 177.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -143.89 89.65 2.06 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.773 -0.825 . . . . 0.63 108.773 177.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.479 HD23 HD12 ' A' ' 51' ' ' ILE . 40.0 tp -104.37 133.37 49.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.502 -0.772 . . . . 0.32 110.847 -176.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 104.1 11.57 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.262 -0.426 . . . . 0.3 110.423 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.18 123.17 33.18 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.859 -0.609 . . . . 0.28 110.581 -178.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.4 p -134.9 149.72 50.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.756 -0.461 . . . . 0.75 109.756 177.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 30.9 m-90 -124.34 159.76 29.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.891 0.377 . . . . 0.32 110.899 -175.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.496 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 90.6 m-20 -60.46 137.21 58.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.596 -0.729 . . . . 1.02 110.583 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.0 m -60.99 -27.79 68.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.614 -0.721 . . . . 0.74 110.966 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -63.99 -42.52 97.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.98 110.252 176.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.583 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 11.8 mm-40 -57.16 -47.95 79.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.736 -0.665 . . . . 1.57 110.602 174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 50.9 mt -58.96 -41.89 84.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.953 -0.567 . . . . 0.4 110.419 178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.37 -48.53 80.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.563 -0.744 . . . . 2.15 110.206 176.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.462 ' HA ' ' HE ' ' A' ' 79' ' ' ARG . 2.3 tpm_? -65.57 -28.84 69.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.514 -0.766 . . . . 3.96 111.854 -177.268 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.4 mt -62.69 -20.8 65.22 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.043 0.386 . . . . 0.55 112.043 -175.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 56.9 mtm -74.14 -12.69 60.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.894 0.378 . . . . 2.59 110.936 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -110.5 159.62 17.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.04 -0.527 . . . . 2.34 111.051 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.51 -51.86 51.6 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 112.668 0.618 . . . . 0.79 112.668 -175.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -62.83 -25.78 68.43 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.961 0.41 . . . . 1.76 111.373 -176.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -76.11 -49.76 8.25 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.716 -0.755 . . . . 0.43 111.309 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.64 -36.66 67.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.607 0.241 . . . . 0.57 111.308 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.64 -36.9 79.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 0.63 111.297 176.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.5 mmt180 -69.05 -33.65 73.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.986 0.422 . . . . 3.71 110.163 178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 80.9 t80 -61.97 -45.31 94.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.916 -0.584 . . . . 0.58 110.756 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.17 -34.77 79.18 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 121.475 0.655 . . . . 2.1 110.159 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.619 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 30.1 tpt180 -66.98 -32.52 73.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.155 -0.93 . . . . 4.06 110.486 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -78.26 -32.58 49.66 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.975 -0.557 . . . . 0.64 110.458 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.5 mt -60.9 -46.21 91.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.027 0.442 . . . . 0.48 110.685 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.03 -18.85 64.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.12 -0.491 . . . . 0.44 111.324 178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.65 1.18 46.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.425 -0.352 . . . . 0.4 111.837 -176.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 85.1 mt -50.72 -50.6 72.3 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 112.452 0.538 . . . . 0.56 112.452 179.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 22.8 Cg_endo -61.15 -27.44 84.01 Favored 'Trans proline' 0 C--N 1.356 0.962 0 C-N-CA 122.01 1.807 . . . . 0.46 112.678 178.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -80.81 -39.35 26.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.1 0.476 . . . . 4.22 110.248 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -67.88 -40.87 83.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.152 -0.685 . . . . 1.52 109.152 177.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.3 tp -55.47 -49.05 73.52 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.878 -1.055 . . . . 1.58 110.478 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.01 -36.08 80.46 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.848 -0.615 . . . . 0.41 111.492 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.35 -44.24 79.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.017 -0.538 . . . . 0.35 111.274 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.8 m0 -65.39 -36.37 83.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.44 110.947 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.7 mt-10 -59.77 -49.45 77.68 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.042 0.449 . . . . 0.62 110.107 177.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -63.46 -38.95 93.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.203 -0.908 . . . . 2.01 111.399 -177.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.85 -48.08 11.15 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.8 0.667 . . . . 0.66 112.8 -173.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -94.89 -5.12 45.62 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 113.469 0.914 . . . . 1.35 113.469 -170.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 75.78 52.74 6.24 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 119.974 -1.107 . . . . 0.5 111.68 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 60.5 t -126.24 148.26 30.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.352 -0.611 . . . . 0.46 109.352 -176.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -135.71 102.05 4.96 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.584 -0.524 . . . . 0.84 109.584 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -67.78 -28.76 67.88 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.75 -0.659 . . . . 0.9 111.774 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.64 -29.68 67.37 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.547 -0.835 . . . . 0.89 111.865 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 19.3 m -91.29 -7.4 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.62 0.247 . . . . 1.38 110.945 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 61.15 20.78 11.27 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.019 -0.537 . . . . 2.7 111.77 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.2 p -138.34 167.68 21.36 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.791 -0.64 . . . . 0.8 110.182 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -147.94 151.35 35.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.159 0.504 . . . . 1.21 111.352 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -81.23 -18.62 45.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.587 -0.733 . . . . 0.84 109.901 175.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -80.5 166.11 21.5 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.503 -0.772 . . . . 1.07 108.983 175.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -91.46 -24.76 19.59 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.905 0.383 . . . . 0.91 110.555 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 65.7 tp -168.42 127.24 1.15 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.1 -0.704 . . . . 1.0 109.1 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.468 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.1 p -110.66 98.93 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 122.185 0.993 . . . . 0.5 111.591 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.6 mt -104.21 135.5 45.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.748 -1.114 . . . . 0.73 108.801 175.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.0 mt -129.8 105.54 8.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.866 0.365 . . . . 0.37 110.159 -176.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -115.51 166.92 12.28 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.892 -0.67 . . . . 0.34 111.924 178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.496 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 76.18 18.45 79.33 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.84 -0.695 . . . . 0.4 113.357 177.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.2 mp -76.78 154.4 34.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.061 0.457 . . . . 0.39 111.415 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.414 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 14.4 m-20 -126.26 161.44 27.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.314 -0.857 . . . . 1.11 109.145 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -94.01 41.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.033 0.444 . . . . 0.61 110.95 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -99.85 136.67 39.41 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.01 -0.541 . . . . 3.0 110.552 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.246 0.881 0 CA-C-O 118.47 -0.776 . . . . 2.26 110.437 177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 111.935 -0.466 . . . . 9.84 111.935 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.54 -18.98 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.634 0.235 . . . . 8.62 111.634 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 4.7 mpp? 69.77 -53.92 0.61 Allowed 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.534 0.733 . . . . 9.31 111.661 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.27 -141.95 7.7 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.378 -0.689 . . . . 5.55 111.378 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 mmt 55.88 38.0 29.51 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.844 0.354 . . . . 6.19 111.474 178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 t -100.62 98.26 7.89 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.223 -0.658 . . . . 2.78 109.223 177.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -61.83 -35.47 78.43 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 122.593 2.195 . . . . 1.35 112.819 -172.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.569 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 14.8 t70 -74.0 -42.75 59.93 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.991 -0.284 . . . . 2.18 110.469 -178.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 56.3 m -62.02 -45.57 93.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.354 0.597 . . . . 0.74 110.312 177.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.79 88.72 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.173 -0.921 . . . . 0.6 110.676 -178.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -68.36 -40.09 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 3.56 111.111 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.659 ' HD2' ' SD ' ' A' ' 81' ' ' MET . 64.5 mtt180 -62.11 -42.14 98.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.698 0.285 . . . . 3.49 110.517 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -66.48 -43.15 86.22 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.593 -0.521 . . . . 0.51 109.593 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.438 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -59.35 -46.03 89.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.45 -0.796 . . . . 0.87 111.94 179.41 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 35.3 m -85.61 -43.47 13.44 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.555 0.576 . . . . 1.51 112.555 -172.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -95.19 -44.16 7.75 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.663 0.616 . . . . 1.81 112.663 -172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' O ' HG13 ' A' ' 21' ' ' ILE . 41.5 m-85 -87.99 -52.48 5.24 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.382 0.512 . . . . 0.72 112.382 -170.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -54.32 -47.64 96.94 Favored Pre-proline 0 CA--C 1.537 0.466 0 N-CA-C 113.286 0.847 . . . . 0.32 113.286 -173.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 34.2 Cg_exo -61.49 -30.11 86.03 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 121.897 1.731 . . . . 0.37 112.128 177.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.3 tpp180 -71.62 -39.32 70.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 3.58 109.975 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 17' ' ' PHE . 61.9 mt -66.55 -47.65 82.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.798 -0.637 . . . . 0.38 110.217 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.73 -35.99 82.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 0.28 111.378 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -69.77 -44.99 69.02 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.025 -0.534 . . . . 3.36 110.936 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.566 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -65.08 -46.66 80.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.35 111.074 -178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 67.0 mt -62.06 -44.11 98.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.075 -0.511 . . . . 1.05 110.891 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.5 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.42 110.625 178.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -70.39 -37.58 74.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.677 -0.692 . . . . 0.86 110.917 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 83.0 mt -70.33 -31.69 69.11 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.051 0.453 . . . . 1.69 110.395 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.0 mt -89.07 6.17 41.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.946 -0.57 . . . . 0.49 110.695 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 56.26 28.69 13.67 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.904 -0.589 . . . . 1.44 111.086 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 56.14 34.71 24.37 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.813 -0.631 . . . . 1.25 111.964 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.53 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 4.2 mmp_? -90.15 -16.07 30.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.519 0.676 . . . . 4.08 109.809 174.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.14 150.85 49.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.932 -1.031 . . . . 0.49 108.843 173.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -95.09 133.49 38.84 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.77 0.319 . . . . 0.89 110.609 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 41.6 p -110.9 145.11 38.88 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.846 -0.427 . . . . 0.49 109.846 177.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -140.19 132.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.843 0.354 . . . . 1.56 110.523 -174.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.6 108.68 19.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.009 -0.541 . . . . 0.54 111.265 -176.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 48' ' ' GLN . 60.9 t -84.23 95.44 3.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 109.013 -0.736 . . . . 0.46 109.013 173.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -87.67 170.66 40.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.879 -0.677 . . . . 0.84 113.683 -171.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -86.35 142.36 28.54 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.292 -0.454 . . . . 2.57 110.481 -178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.36 -169.82 12.25 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.853 -0.689 . . . . 2.74 111.658 178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.93 -15.44 78.34 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.956 -0.64 . . . . 2.95 112.272 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -91.81 176.65 6.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.741 0.305 . . . . 5.56 110.296 178.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -76.84 58.16 3.49 Favored Glycine 0 N--CA 1.451 -0.366 0 N-CA-C 111.65 -0.58 . . . . 3.24 111.65 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -98.31 120.51 59.38 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 110.109 -0.33 . . . . 4.97 110.109 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -67.64 140.32 51.29 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.78 2.32 . . . . 1.87 112.121 -178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.2 m -95.05 122.61 37.89 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.325 -0.398 . . . . 0.89 110.324 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' O ' ' HB ' ' A' ' 38' ' ' VAL . 14.1 pt20 -163.69 163.14 24.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.06 110.087 -175.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.9 p -115.18 120.66 65.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.255 0.55 . . . . 0.36 109.931 174.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.2 ptt180 -101.17 138.62 37.97 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.673 -0.694 . . . . 2.62 111.412 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.481 HD12 HD23 ' A' ' 68' ' ' LEU . 29.4 mt -109.22 114.92 48.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 108.968 -0.753 . . . . 0.42 108.968 174.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 60.2 t -112.59 131.27 64.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 116.055 -0.521 . . . . 0.46 109.986 -178.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -128.3 91.76 43.23 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 115.931 -0.577 . . . . 0.93 110.392 -178.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -73.79 59.25 4.19 Favored 'Trans proline' 0 N--CA 1.464 -0.217 0 C-N-CA 122.905 2.403 . . . . 1.67 111.251 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -125.44 63.42 1.18 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.838 -0.619 . . . . 5.54 109.877 -177.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.62 -9.51 59.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.958 -0.564 . . . . 3.83 111.048 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -76.12 73.83 2.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.0 -0.545 . . . . 6.04 110.975 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -143.28 100.82 3.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.234 -0.439 . . . . 6.46 110.001 177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.4 m -69.17 152.33 9.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 5.11 111.215 -179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 62.14 38.88 13.44 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.6 -0.727 . . . . 5.97 111.014 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.06 -157.71 7.5 Favored Glycine 0 N--CA 1.447 -0.598 0 N-CA-C 111.55 -0.62 . . . . 1.94 111.55 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -103.81 127.35 51.3 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.79 0.329 . . . . 2.22 110.602 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.08 59.92 5.2 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.017 -0.538 . . . . 1.16 111.055 -177.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 69.3 m-70 -126.59 118.33 22.85 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.967 -0.56 . . . . 1.13 109.88 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -67.69 123.41 10.72 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.326 2.017 . . . . 1.08 111.213 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 6.4 tt -62.5 123.05 17.29 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.955 -0.566 . . . . 1.2 110.434 -175.201 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.428 HD22 HD11 ' A' ' 120' ' ' LEU . 5.6 t30 -138.08 100.65 4.21 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.908 -0.587 . . . . 0.63 109.731 175.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.531 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 46.7 tp -107.28 129.75 54.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.837 -0.619 . . . . 0.32 110.933 -178.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.3 111.38 21.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.092 -0.504 . . . . 0.3 110.397 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 84.3 mt -96.0 118.34 32.43 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.703 -0.68 . . . . 0.28 111.022 -178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.555 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 18.8 p -121.19 149.64 42.51 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.809 -0.441 . . . . 0.75 109.809 175.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.3 m-90 -127.29 155.88 42.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.159 0.504 . . . . 0.32 111.692 -174.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -57.3 115.9 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.935 -1.029 . . . . 1.02 111.334 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 m -57.02 -31.09 64.77 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.716 -0.675 . . . . 0.74 111.526 -178.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.63 -50.95 71.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.278 0.561 . . . . 1.98 109.97 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.68 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 45.7 mt-10 -63.33 -32.89 74.43 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.363 -0.835 . . . . 1.57 111.687 178.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -57.45 -47.94 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.328 0 CA-C-O 120.755 0.312 . . . . 0.4 110.517 174.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -57.94 -40.22 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.312 0.577 . . . . 2.15 110.029 176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 40.7 ttt180 -70.42 -28.83 65.36 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 3.96 111.411 -177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 69.4 mt -70.48 -12.5 61.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.642 -0.253 . . . . 0.55 111.674 -177.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.659 ' SD ' ' HD2' ' A' ' 12' ' ' ARG . 45.4 mtm -80.59 -9.51 59.78 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.866 0.365 . . . . 2.59 110.942 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.6 mm-40 -93.9 161.58 14.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.298 -0.41 . . . . 2.34 110.037 176.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.43 -50.65 64.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.701 0.286 . . . . 0.79 111.719 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.6 -30.91 67.57 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.124 0.487 . . . . 1.76 110.799 178.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.474 ' HA3' ' HA ' ' A' ' 80' ' ' LEU . . . -69.93 -46.47 52.18 Favored Glycine 0 N--CA 1.443 -0.874 0 CA-C-N 115.527 -0.761 . . . . 0.43 111.938 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.42 -35.5 70.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.94 0.4 . . . . 0.57 110.932 177.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.88 92.17 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.767 -0.651 . . . . 0.63 111.1 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -69.95 -32.45 70.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.392 -0.367 . . . . 3.71 110.587 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 44.1 t80 -65.19 -38.05 89.26 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.809 -0.632 . . . . 0.58 110.565 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -66.11 -42.4 89.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.579 -0.282 . . . . 2.1 110.733 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -66.05 -28.52 68.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 4.06 110.265 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -74.14 -37.21 64.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.014 -0.539 . . . . 0.64 110.19 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.8 mt -64.89 -38.01 89.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.48 110.434 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -70.1 -24.8 63.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.064 -0.517 . . . . 0.44 111.648 178.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.85 -7.39 46.44 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 111.825 0.306 . . . . 0.4 111.825 -176.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.512 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 68.3 mt -47.98 -48.59 62.24 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 113.661 0.985 . . . . 0.56 113.661 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.512 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 12.4 Cg_endo -56.14 -40.24 86.12 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 121.964 1.776 . . . . 0.46 112.934 179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 54.7 mtm180 -75.48 -34.75 60.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.824 0.345 . . . . 4.22 111.149 -177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -68.32 -38.41 81.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.482 0.658 . . . . 1.52 109.423 177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 14.0 tp -60.91 -43.09 99.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.689 -1.141 . . . . 1.58 110.139 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -39.67 94.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.659 -0.701 . . . . 0.41 111.036 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.6 87.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.799 -0.637 . . . . 0.35 110.988 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 23.2 m0 -69.98 -34.54 73.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.44 111.06 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 39.5 mt-10 -57.11 -51.47 69.16 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.012 0.434 . . . . 0.62 110.724 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -68.34 -36.98 80.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.532 -0.758 . . . . 2.01 111.5 -175.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.09 -42.12 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.563 0.579 . . . . 0.66 112.563 -174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mmm180 -101.62 -0.01 35.51 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.818 0.673 . . . . 1.35 112.818 -170.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 71.88 49.12 24.22 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.28 -0.962 . . . . 0.5 111.733 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.2 t -119.41 138.1 51.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 109.281 -0.637 . . . . 0.46 109.281 -177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.1 t0 -124.71 98.64 5.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.654 -0.498 . . . . 0.84 109.654 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -73.46 -14.94 61.33 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.693 0.257 . . . . 0.9 111.693 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.51 -38.43 32.9 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.395 -0.907 . . . . 0.89 111.232 175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 40.8 t -86.15 -18.67 31.63 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.128 0.489 . . . . 1.38 110.537 178.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 67.27 28.07 8.12 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.07 -0.968 . . . . 2.7 110.434 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.8 p -133.39 176.96 8.06 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.221 -0.9 . . . . 0.8 109.863 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.514 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 3.9 pt20 -140.9 146.11 37.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.911 0.386 . . . . 1.21 110.695 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -84.81 -10.59 57.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.8 -0.636 . . . . 0.84 110.354 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -90.19 173.7 8.02 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.374 -0.83 . . . . 1.07 109.877 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.62 -43.32 26.62 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.941 0.4 . . . . 0.91 110.122 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.428 HD11 HD22 ' A' ' 67' ' ' ASN . 54.8 tp -167.64 137.5 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.936 -0.764 . . . . 1.0 108.936 -176.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.457 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.0 p -116.36 94.99 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 121.982 0.896 . . . . 0.5 111.623 -176.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 39.7 mt -108.04 103.09 12.23 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.178 -0.919 . . . . 0.73 109.515 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.2 mt -96.23 113.88 25.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.11 0.481 . . . . 0.37 111.812 -174.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.555 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.25 163.9 14.22 Favored Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.655 -0.702 . . . . 0.34 112.381 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 68.54 30.92 73.15 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 121.369 -0.443 . . . . 0.4 114.088 176.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.9 mp -69.49 138.24 53.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 117.551 0.675 . . . . 0.39 111.01 176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -105.51 155.86 18.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.23 -0.896 . . . . 1.11 109.136 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -97.47 29.42 3.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.332 0.586 . . . . 0.61 110.063 176.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -84.4 105.52 15.3 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.345 -0.843 . . . . 3.0 108.952 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 118.49 -0.767 . . . . 2.26 109.89 -178.87 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.82 0 N-CA-C 112.317 -0.313 . . . . 9.84 112.317 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.96 132.35 35.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.633 0.254 . . . . 8.62 110.626 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -157.72 -172.99 4.16 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.304 -0.407 . . . . 9.31 110.19 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.61 -82.25 1.52 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.882 -0.675 . . . . 5.55 111.597 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 65.9 mtm -109.85 112.7 24.89 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.123 -0.695 . . . . 6.19 109.123 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.3 p -127.51 75.94 77.16 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-O 120.885 0.374 . . . . 2.78 111.478 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -62.0 -35.4 76.98 Favored 'Trans proline' 0 C--N 1.35 0.61 0 C-N-CA 122.649 2.233 . . . . 1.35 112.05 -179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -67.93 -46.74 70.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.96 -0.564 . . . . 2.18 110.261 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.528 HG22 HG22 ' A' ' 77' ' ' ILE . 22.7 m -61.24 -44.84 96.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.74 110.979 177.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.49 -38.32 90.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.814 -0.63 . . . . 0.6 111.298 -177.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -69.95 -35.38 74.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.196 0.522 . . . . 3.56 110.401 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -66.92 -36.99 83.51 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.821 -0.627 . . . . 3.49 110.46 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 45.9 t80 -65.91 -40.9 91.9 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.308 -0.627 . . . . 0.51 109.308 176.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -59.24 -39.09 81.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.344 -0.843 . . . . 0.87 111.793 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -91.76 -40.69 11.1 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 112.849 0.685 . . . . 1.51 112.849 -173.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -94.19 -44.22 8.09 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.65 0.611 . . . . 1.81 112.65 -172.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -97.58 -46.47 6.01 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.785 0.661 . . . . 0.72 112.785 -169.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.439 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.58 -48.06 97.83 Favored Pre-proline 0 CA--C 1.536 0.419 0 N-CA-C 113.094 0.776 . . . . 0.32 113.094 -173.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 44.3 Cg_exo -59.83 -30.68 92.49 Favored 'Trans proline' 0 C--N 1.356 0.94 0 C-N-CA 121.812 1.674 . . . . 0.37 111.928 177.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 69.0 ttt180 -72.13 -38.54 69.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.827 -0.624 . . . . 3.58 109.905 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 72.2 mt -67.93 -46.86 81.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.95 -0.568 . . . . 0.38 110.346 177.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.38 -42.48 91.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.762 -0.654 . . . . 0.28 111.734 -177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -69.19 -39.37 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.294 -0.412 . . . . 3.36 111.194 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.01 -44.8 94.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.979 0.419 . . . . 0.35 110.801 -179.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 70.2 mt -64.05 -47.3 90.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.928 -0.578 . . . . 1.05 110.681 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.0 81.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.089 -0.505 . . . . 0.42 111.166 -178.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -71.47 -36.45 71.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.931 -0.577 . . . . 0.86 110.648 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.8 tp -71.47 -33.07 68.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.799 -0.637 . . . . 1.69 110.239 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 84.2 mt -86.62 -0.89 57.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.957 -0.565 . . . . 0.49 111.21 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 54.62 33.98 20.39 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.475 0.655 . . . . 1.44 109.868 -175.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 58.12 32.26 21.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.348 -0.842 . . . . 1.25 112.552 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 mmp_? -69.49 -25.58 64.13 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 121.422 0.63 . . . . 4.08 109.559 171.467 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.41 161.02 33.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.938 -1.028 . . . . 0.49 108.574 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -105.61 139.1 40.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 120.737 0.303 . . . . 0.89 110.415 -177.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.426 HG22 HG12 ' A' ' 51' ' ' ILE . 33.7 p -111.42 143.54 42.08 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.892 0.377 . . . . 0.49 110.815 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -137.2 140.19 41.57 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.123 -0.49 . . . . 1.56 110.136 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 97.0 t -100.26 109.49 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.151 0.501 . . . . 0.54 111.3 -175.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 62.7 t -80.68 112.71 19.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.76 -0.655 . . . . 0.46 109.508 173.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.2 155.85 33.27 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.708 -0.758 . . . . 0.84 112.575 -177.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -62.39 123.63 18.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.786 0.327 . . . . 2.57 110.662 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -125.2 117.44 2.98 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.717 -0.754 . . . . 2.74 112.764 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 55.22 -110.1 1.62 Allowed Glycine 0 C--N 1.332 0.32 0 O-C-N 123.771 0.336 . . . . 2.95 113.119 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -146.31 117.63 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.21 -0.663 . . . . 5.56 109.21 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 114.0 -4.81 23.96 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.69 -0.767 . . . . 3.24 111.915 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -114.13 87.41 13.1 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.818 -0.438 . . . . 4.97 109.818 176.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -75.25 142.23 26.88 Favored 'Trans proline' 0 C--O 1.235 0.364 0 C-N-CA 122.574 2.183 . . . . 1.87 112.173 -178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.3 m -60.38 132.47 54.01 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.715 -0.675 . . . . 0.89 110.33 178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.455 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.0 pt20 -159.67 156.78 28.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.449 -0.341 . . . . 1.06 110.537 -174.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.11 119.89 62.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.493 0.663 . . . . 0.36 110.292 177.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 35.2 ptt180 -101.14 138.24 38.43 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.566 -0.743 . . . . 2.62 110.935 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 HD23 ' A' ' 68' ' ' LEU . 21.4 mt -109.24 114.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 N-CA-C 108.789 -0.819 . . . . 0.42 108.789 177.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 34.0 t -117.19 137.49 50.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.148 -0.478 . . . . 0.46 110.532 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -126.56 100.25 28.96 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-N 115.775 -0.648 . . . . 0.93 109.293 177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_exo -59.32 99.49 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.778 2.319 . . . . 1.67 111.781 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 57' ' ' GLU . 83.3 t60 -140.29 76.11 1.54 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.174 0.511 . . . . 5.54 110.886 -176.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -91.52 20.27 5.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 122.109 0.957 . . . . 3.83 108.627 170.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 17.1 mt-10 -85.59 140.82 30.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.246 -1.343 . . . . 6.04 110.589 -175.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -101.8 21.35 14.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.283 -0.417 . . . . 6.46 110.961 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.3 t -125.02 83.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.555 -0.293 . . . . 5.11 110.796 -178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.0 tpp180 -176.92 -58.18 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.143 0.497 . . . . 5.97 110.463 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.3 -76.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.355 -0.698 . . . . 1.94 111.355 -178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -102.57 129.68 49.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.379 -0.601 . . . . 2.22 109.379 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.75 37.29 0.79 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.218 0.532 . . . . 1.16 110.702 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -112.15 112.0 52.72 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.692 -0.685 . . . . 1.13 109.716 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -62.36 130.29 29.74 Favored 'Trans proline' 0 N--CA 1.461 -0.394 0 C-N-CA 122.621 2.214 . . . . 1.08 111.494 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 124.24 20.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 1.2 109.861 -178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.521 ' C ' HD22 ' A' ' 67' ' ' ASN . 0.1 OUTLIER -141.51 91.8 2.41 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.265 -0.643 . . . . 0.63 109.265 -177.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 HD23 HD12 ' A' ' 51' ' ' ILE . 50.8 tp -111.6 131.2 55.43 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.617 -0.72 . . . . 0.32 110.587 -177.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.63 113.5 25.13 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.212 -0.449 . . . . 0.3 110.51 175.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 72.9 mt -96.49 111.69 23.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.828 -0.624 . . . . 0.28 110.182 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.616 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 71.8 p -117.0 149.02 40.94 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.757 -0.461 . . . . 0.75 109.757 177.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.7 m-90 -123.86 150.19 44.9 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.048 0.451 . . . . 0.32 110.744 -178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.437 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 84.2 m-20 -58.53 128.68 38.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.267 -0.878 . . . . 1.02 111.071 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 29.1 m -57.97 -28.13 64.08 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 115.395 -0.82 . . . . 0.74 111.547 -177.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.78 -41.37 75.21 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.416 -0.356 . . . . 1.98 110.363 176.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' O ' ' HB3' ' A' ' 79' ' ' ARG . 11.1 mm-40 -59.14 -41.56 88.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 1.57 110.462 173.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.528 HG22 HG22 ' A' ' 9' ' ' THR . 47.9 mt -59.06 -47.0 91.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.184 -0.462 . . . . 0.4 111.444 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -65.1 -34.08 77.55 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.457 0.646 . . . . 2.15 110.014 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.528 ' HB3' ' O ' ' A' ' 76' ' ' GLU . 79.1 ttt180 -58.24 -29.34 65.67 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.29 -0.868 . . . . 3.96 111.498 176.199 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 83.1 mt -72.28 -9.15 58.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.568 -0.287 . . . . 0.55 111.7 -178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.6 mmm -75.4 -18.22 59.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.095 0.474 . . . . 2.59 110.415 175.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -88.09 150.48 23.35 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.113 -0.699 . . . . 2.34 109.113 175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.7 -33.21 75.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.879 0.371 . . . . 0.79 110.531 179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.15 -26.72 68.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.033 -0.53 . . . . 1.76 110.03 175.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.41 -46.67 11.79 Favored Glycine 0 N--CA 1.442 -0.951 0 N-CA-C 111.266 -0.734 . . . . 0.43 111.266 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.38 -38.96 72.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.669 0.271 . . . . 0.57 111.382 173.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.19 75.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.259 0.552 . . . . 0.63 110.373 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' HD3' HH11 ' A' ' 88' ' ' ARG . 0.1 OUTLIER -67.29 -37.16 82.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.442 -0.799 . . . . 3.71 109.626 178.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.524 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 57.8 t80 -66.3 -38.05 86.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.338 -0.846 . . . . 0.58 110.365 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -62.33 -43.5 98.69 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.2 0.524 . . . . 2.1 109.975 177.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.555 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 27.4 tpt180 -63.39 -31.58 72.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.485 -0.78 . . . . 4.06 110.699 178.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.5 t80 -75.72 -34.08 60.34 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.771 -0.65 . . . . 0.64 110.296 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 98.0 mt -67.06 -38.88 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.017 -0.538 . . . . 0.48 110.604 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.99 -18.45 65.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.047 -0.524 . . . . 0.44 110.978 177.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.41 4.41 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.076 -0.511 . . . . 0.4 111.846 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.501 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 87.5 mt -50.7 -52.74 53.69 Favored Pre-proline 0 N--CA 1.468 0.44 0 N-CA-C 112.535 0.568 . . . . 0.56 112.535 -179.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 14.6 Cg_endo -57.3 -34.55 98.05 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 122.184 1.923 . . . . 0.46 113.122 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 44.5 ttt180 -80.21 -38.59 30.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 4.22 111.164 -177.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 40.6 mmtm -69.89 -41.96 74.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.165 0.507 . . . . 1.52 109.758 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 25.7 tp -59.67 -47.86 83.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.133 -0.94 . . . . 1.58 110.443 179.546 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.49 -35.79 82.09 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.993 -0.549 . . . . 0.41 111.114 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.64 -41.79 95.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.015 -0.539 . . . . 0.35 110.827 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 19.0 m0 -66.77 -35.31 79.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.429 -0.35 . . . . 0.44 110.738 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 32.6 mt-10 -58.66 -51.14 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.187 0.517 . . . . 0.62 110.473 177.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -74.9 -38.92 61.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.475 -0.784 . . . . 2.01 112.1 -173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -84.7 -22.77 29.65 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 112.848 0.685 . . . . 0.66 112.848 -173.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -115.42 -3.94 12.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 112.865 0.691 . . . . 1.35 112.865 -173.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 78.83 42.02 13.79 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 120.288 -0.958 . . . . 0.5 112.441 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 94.2 t -120.14 139.91 45.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.223 -0.658 . . . . 0.46 109.223 -177.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -135.61 107.23 6.95 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.148 0.499 . . . . 0.84 110.624 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -75.98 -21.44 56.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.858 -0.61 . . . . 0.9 111.971 -174.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.82 -37.26 57.23 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.504 -0.855 . . . . 0.89 111.779 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 p -89.95 -8.44 51.75 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.507 0.194 . . . . 1.38 111.043 179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 114' ' ' ARG . 32.9 mtp180 66.63 27.88 9.36 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.84 -0.618 . . . . 2.7 110.591 179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.46 HG22 ' CD2' ' A' ' 55' ' ' HIS . 72.1 p -135.57 169.36 17.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.084 -0.507 . . . . 0.8 111.26 -174.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -145.91 150.01 35.3 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.986 -0.552 . . . . 1.21 109.705 177.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.91 11.88 16.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.033 0.444 . . . . 0.84 110.798 -177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -123.6 160.42 27.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.69 -0.686 . . . . 1.07 109.614 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -83.09 -23.96 32.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.335 -0.393 . . . . 0.91 110.882 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 41.1 tp -170.4 125.25 0.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 1.0 109.893 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 p -119.29 99.21 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.924 0.869 . . . . 0.5 111.219 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 42.5 mt -105.42 109.93 22.09 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.078 -0.964 . . . . 0.73 109.788 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.5 mt -97.26 108.13 20.8 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.085 0.469 . . . . 0.37 111.118 -177.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.616 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -104.33 167.19 15.58 Favored Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.712 -0.676 . . . . 0.34 112.165 176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.437 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 69.78 23.62 76.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.987 -0.625 . . . . 0.4 113.466 175.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 71' ' ' THR . 9.2 mp -71.58 143.31 49.9 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 117.201 0.5 . . . . 0.39 110.793 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -125.95 168.18 14.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.158 -0.928 . . . . 1.11 109.004 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -98.85 46.59 0.98 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.179 0.514 . . . . 0.61 111.371 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -84.09 128.5 34.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.952 -0.567 . . . . 3.0 110.131 174.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.555 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.81 -0.614 . . . . 2.26 110.274 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.662 0 N-CA-C 111.834 -0.506 . . . . 9.84 111.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.45 13.63 3.79 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.949 0.404 . . . . 8.62 111.278 -177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 13.5 tpt -132.06 141.65 49.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.41 -0.359 . . . . 9.31 110.143 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.52 -53.11 1.31 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.926 -0.654 . . . . 5.55 111.536 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.469 ' HG2' ' HD3' ' A' ' 7' ' ' PRO . 53.6 ttp -147.68 113.08 5.6 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.824 -0.435 . . . . 6.19 109.824 176.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 p -130.67 72.52 81.83 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.851 0.358 . . . . 2.78 110.907 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.469 ' HD3' ' HG2' ' A' ' 5' ' ' MET . 72.4 Cg_endo -84.85 -23.2 2.65 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.356 2.038 . . . . 1.35 112.843 -175.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -79.49 -39.71 31.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.37 -0.377 . . . . 2.18 110.674 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 96.9 m -67.27 -43.46 81.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.911 0.386 . . . . 0.74 110.134 177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.01 88.14 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.6 110.492 176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.87 -39.85 87.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 3.56 110.418 177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -62.65 -41.62 99.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.278 -0.419 . . . . 3.49 110.505 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -62.18 -43.61 98.45 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.514 -0.55 . . . . 0.51 109.514 177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -57.34 -38.49 74.19 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.685 -0.689 . . . . 0.87 112.475 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 13.7 t -103.78 -36.53 7.81 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.747 0.647 . . . . 1.51 112.747 -171.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -93.49 -44.19 8.36 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.437 0.532 . . . . 1.81 112.437 -173.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -102.62 -44.08 5.43 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.803 0.668 . . . . 0.72 112.803 -169.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -52.96 -48.37 91.95 Favored Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 113.102 0.779 . . . . 0.32 113.102 -176.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.454 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.8 Cg_exo -57.65 -31.47 91.98 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.831 1.687 . . . . 0.37 112.198 177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -68.44 -40.24 81.21 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.279 -0.419 . . . . 3.58 109.96 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 66.3 mt -69.46 -45.51 78.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.697 -0.683 . . . . 0.38 110.059 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.75 -43.84 90.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.582 -0.736 . . . . 0.28 111.423 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 59.7 mtp180 -69.43 -41.78 75.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.439 -0.346 . . . . 3.36 111.132 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.672 ' O ' ' HG ' ' A' ' 28' ' ' LEU . . . -62.08 -47.08 86.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.374 -0.375 . . . . 0.35 110.913 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.6 mm -62.87 -43.49 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 1.05 110.557 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -39.63 84.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.915 -0.584 . . . . 0.42 110.795 179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -71.0 -35.3 72.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.86 111.139 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 24' ' ' ALA . 87.2 mt -65.34 -38.14 89.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 1.69 109.98 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.2 mt -87.56 12.19 13.07 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.375 -0.83 . . . . 0.49 111.141 -179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 55.05 30.45 14.27 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.199 -0.455 . . . . 1.44 111.435 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 60.19 21.74 11.07 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.521 -0.763 . . . . 1.25 112.281 179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.47 -24.66 56.96 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.389 0.614 . . . . 4.08 109.395 176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -117.46 152.74 34.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.182 -0.917 . . . . 0.49 109.059 173.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -104.03 137.19 42.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.906 0.384 . . . . 0.89 110.22 -177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.486 HG22 HG12 ' A' ' 51' ' ' ILE . 37.3 p -112.06 138.07 49.23 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.06 -0.518 . . . . 0.49 110.657 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -138.88 127.59 23.4 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.194 -0.457 . . . . 1.56 110.041 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.3 t -77.66 128.87 37.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.141 0.496 . . . . 0.54 110.871 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.9 t -93.53 116.21 34.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.119 -0.697 . . . . 0.46 109.119 178.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -65.21 160.41 42.99 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.023 -0.608 . . . . 0.84 113.03 -176.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -68.48 132.37 46.88 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.93 0.395 . . . . 2.57 110.822 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.27 119.17 6.09 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 111.108 -0.797 . . . . 2.74 111.108 175.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -67.1 -19.79 70.39 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 121.362 -0.447 . . . . 2.95 113.684 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 69.5 t60 -75.45 -27.78 59.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.943 0.401 . . . . 5.56 110.369 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 144.9 48.71 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.363 -0.922 . . . . 3.24 112.778 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -127.35 105.4 21.68 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 109.939 -0.393 . . . . 4.97 109.939 176.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -58.32 145.63 92.73 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.943 2.429 . . . . 1.87 111.988 179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.8 m -62.29 144.38 55.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.662 -0.699 . . . . 0.89 110.364 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -158.88 165.74 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.766 -0.457 . . . . 1.06 109.766 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.81 125.26 74.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.032 0.444 . . . . 0.36 110.608 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 37.6 ptt180 -96.99 131.31 43.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.909 -0.587 . . . . 2.62 110.921 178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.609 HD12 HD23 ' A' ' 68' ' ' LEU . 30.0 mt -109.85 114.94 48.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.436 -0.802 . . . . 0.42 109.139 177.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 38.5 t -116.23 132.42 65.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.209 -0.45 . . . . 0.46 110.286 -175.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -115.57 97.87 49.61 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 116.318 -0.401 . . . . 0.93 110.475 178.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -73.67 125.53 10.1 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.185 1.924 . . . . 1.67 111.703 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -130.37 -16.49 3.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 5.54 111.163 -178.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . 59.57 -80.52 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.881 0.738 . . . . 3.83 112.033 -178.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -86.29 159.63 19.37 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.75 -0.463 . . . . 6.04 109.75 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -140.23 65.49 1.41 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.096 0.474 . . . . 6.46 110.218 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 65.8 t -61.11 108.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.783 -0.644 . . . . 5.11 110.147 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 63.18 25.85 15.01 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.699 -0.682 . . . . 5.97 110.382 -176.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -121.13 162.13 14.96 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.035 -0.602 . . . . 1.94 111.795 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 84.9 m-85 -67.47 142.46 56.62 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.827 0.346 . . . . 2.22 110.644 -177.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.95 45.52 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.539 0.685 . . . . 1.16 110.153 177.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -122.19 114.2 30.74 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 115.395 -0.82 . . . . 1.13 109.477 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.11 141.12 46.95 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.42 2.08 . . . . 1.08 111.326 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 tt -85.96 115.66 23.71 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.136 0.493 . . . . 1.2 109.796 -178.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -144.12 103.72 4.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.308 -0.86 . . . . 0.63 109.075 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.609 HD23 HD12 ' A' ' 51' ' ' ILE . 33.5 tp -109.63 127.61 54.66 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.963 -0.562 . . . . 0.32 110.403 -177.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.26 113.35 24.49 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.962 0.411 . . . . 0.3 110.693 178.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.5 mt -100.04 113.46 26.08 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.78 -0.646 . . . . 0.28 110.682 -179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.3 t -128.76 150.97 50.07 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.873 -0.418 . . . . 0.75 109.873 175.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.8 m-90 -122.62 155.08 37.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.149 0.5 . . . . 0.32 111.524 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.423 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 88.5 m-20 -60.92 135.44 57.78 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.123 -0.944 . . . . 1.02 111.065 179.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 6.7 m -58.23 -28.94 65.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.134 -0.939 . . . . 0.74 111.905 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -59.34 -51.23 70.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.194 0.521 . . . . 1.98 110.278 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -65.86 -37.38 86.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.609 -0.723 . . . . 1.57 111.618 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.8 mt -58.0 -42.53 82.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.899 0.38 . . . . 0.4 110.817 172.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -66.15 -34.78 78.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 2.15 110.455 177.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.56 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 6.4 tpp180 -54.75 -29.45 53.86 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.671 -0.695 . . . . 3.96 111.419 178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.72 -17.02 64.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.362 -0.381 . . . . 0.55 111.581 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 74.4 mmm -76.74 -18.01 58.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.825 0.345 . . . . 2.59 110.987 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.57 154.47 21.04 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.323 -0.399 . . . . 2.34 110.175 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.9 -46.89 86.78 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.946 0.403 . . . . 0.79 110.758 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -71.17 -7.72 48.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.073 -0.512 . . . . 1.76 110.847 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.56 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -79.24 -51.4 5.32 Favored Glycine 0 N--CA 1.444 -0.828 0 N-CA-C 111.055 -0.818 . . . . 0.43 111.055 178.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.98 -37.71 69.46 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.702 0.286 . . . . 0.57 111.141 173.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.18 80.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.63 110.954 176.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -68.81 -34.32 75.33 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.656 -0.498 . . . . 3.71 109.656 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.4 t80 -62.38 -41.02 98.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.741 -0.663 . . . . 0.58 110.365 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -62.91 -42.28 99.74 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.085 0.469 . . . . 2.1 110.397 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -72.5 -27.54 62.33 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.963 -0.562 . . . . 4.06 110.41 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.7 -27.84 64.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.64 110.014 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 89.1 mt -62.64 -33.6 75.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.146 0.498 . . . . 0.48 110.323 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -75.68 -22.23 56.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.929 -0.578 . . . . 0.44 111.163 177.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.19 -8.82 35.15 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.241 -0.436 . . . . 0.4 111.467 -177.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 75.5 mt -54.08 -55.28 38.13 Favored Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 111.95 0.352 . . . . 0.56 111.95 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 30.7 Cg_endo -63.05 -27.1 73.63 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 121.831 1.687 . . . . 0.46 112.26 179.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -71.93 -40.0 69.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.089 0.471 . . . . 4.22 109.954 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.64 -36.44 62.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.823 -0.626 . . . . 1.52 109.763 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 35.1 tp -56.59 -49.23 75.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.38 -0.827 . . . . 1.58 110.932 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.63 71.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.969 -0.559 . . . . 0.41 110.825 179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.55 -39.3 67.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.249 -0.887 . . . . 0.35 110.767 -177.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 20.6 m0 -68.59 -40.32 80.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.44 111.074 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.439 ' HA ' ' HB ' ' A' ' 109' ' ' VAL . 44.9 mt-10 -57.35 -52.19 66.36 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.052 0.453 . . . . 0.62 110.897 -179.412 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -70.85 -28.73 64.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.584 -0.734 . . . . 2.01 112.2 -176.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -82.03 -47.23 12.89 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.128 0.418 . . . . 0.66 112.128 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -98.36 6.18 47.54 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.64 0.607 . . . . 1.35 112.64 -171.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 66.59 48.84 59.94 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.528 -0.844 . . . . 0.5 111.6 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.439 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 87.4 t -113.1 131.96 63.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.202 -0.666 . . . . 0.46 109.202 -177.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -137.26 111.89 8.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.874 0.369 . . . . 0.84 110.215 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -76.83 -12.87 60.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.197 -0.456 . . . . 0.9 112.048 -175.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.87 -45.25 17.19 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.433 -0.889 . . . . 0.89 111.367 174.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 7.4 m -79.59 -19.24 49.8 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.088 0.47 . . . . 1.38 110.418 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 64.63 25.69 13.14 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.182 -0.917 . . . . 2.7 111.276 178.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.9 p -132.29 178.8 6.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.448 -0.796 . . . . 0.8 110.015 179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -142.5 147.79 36.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.102 0.477 . . . . 1.21 110.847 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.73 -17.6 50.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.578 -0.737 . . . . 0.84 110.653 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -87.25 170.22 11.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.805 -0.634 . . . . 1.07 109.374 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.15 -41.85 40.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.269 0.557 . . . . 0.91 109.868 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 48.3 tp -165.35 141.48 5.42 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.341 -0.985 . . . . 1.0 108.341 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.1 p -118.5 91.12 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 122.178 0.99 . . . . 0.5 111.111 -175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 56.0 mt -104.77 106.07 16.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.025 -0.989 . . . . 0.73 109.035 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 75.1 mt -95.37 110.14 22.21 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.095 0.474 . . . . 0.37 111.276 -174.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -117.04 166.5 12.46 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.244 -0.743 . . . . 0.34 111.244 175.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.423 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 78.99 15.98 79.68 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.591 -0.814 . . . . 0.4 112.896 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.16 153.18 36.4 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.955 0.407 . . . . 0.39 110.706 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -127.45 167.68 15.92 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.279 -0.637 . . . . 1.11 109.279 -178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -97.45 31.11 2.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.102 0.477 . . . . 0.61 110.55 -178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -76.55 112.1 12.73 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.709 -0.678 . . . . 3.0 109.734 178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.522 -0.752 . . . . 2.26 110.756 -177.561 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.706 0 N-CA-C 111.806 -0.517 . . . . 9.84 111.806 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.07 70.24 3.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.176 0.512 . . . . 8.62 110.823 -179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mmt -82.41 19.68 1.2 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.775 -0.648 . . . . 9.31 111.216 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -15.18 55.63 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.642 -0.789 . . . . 5.55 111.244 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -139.95 25.12 2.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.237 0.541 . . . . 6.19 109.754 178.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 p -64.76 117.4 38.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.503 -0.771 . . . . 2.78 111.327 -177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.34 -34.35 77.47 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.466 2.11 . . . . 1.35 112.207 -178.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 3.7 m-20 -63.02 -52.91 61.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.429 -0.35 . . . . 2.18 110.402 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.6 m -61.68 -48.31 81.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.819 -0.628 . . . . 0.74 110.755 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.35 -39.54 90.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.854 -0.612 . . . . 0.6 111.603 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -66.58 -44.04 83.3 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.842 0.353 . . . . 3.56 110.776 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 96.1 mtt180 -64.68 -35.75 82.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 3.49 110.878 -178.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -67.57 -47.1 70.75 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.384 -0.371 . . . . 0.51 110.099 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.62 -35.34 79.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.87 111.903 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -86.64 -47.61 9.03 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 112.797 0.666 . . . . 1.51 112.797 -173.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -97.42 -45.45 6.45 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.44 0.533 . . . . 1.81 112.44 -172.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -87.49 -50.58 6.44 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 112.343 0.497 . . . . 0.72 112.343 -168.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -58.23 -49.56 92.91 Favored Pre-proline 0 CA--C 1.537 0.453 0 N-CA-C 112.705 0.632 . . . . 0.32 112.705 -175.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 26.6 Cg_exo -65.13 -20.6 63.17 Favored 'Trans proline' 0 C--N 1.359 1.08 0 C-N-CA 121.998 1.799 . . . . 0.37 112.002 178.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -75.04 -45.52 41.07 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.483 -0.562 . . . . 3.58 109.483 179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.7 mt -67.8 -43.62 86.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.742 -0.663 . . . . 0.38 109.994 178.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.77 -49.28 75.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.372 -0.831 . . . . 0.28 111.795 -177.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -71.24 -33.0 69.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.285 -0.416 . . . . 3.36 111.347 -178.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.78 -45.27 93.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.019 0.438 . . . . 0.35 110.48 178.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 73.5 mt -66.13 -47.72 83.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.687 -0.688 . . . . 1.05 110.937 178.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.9 91.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.42 110.989 -179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -67.93 -38.18 82.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.693 -0.685 . . . . 0.86 110.447 179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 tp -66.27 -35.89 81.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.771 -0.65 . . . . 1.69 110.467 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 68.3 mt -88.11 6.96 33.85 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.089 -0.505 . . . . 0.49 111.233 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 58.12 30.5 19.43 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.278 -0.419 . . . . 1.44 111.012 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 64.89 27.05 12.86 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.689 -0.687 . . . . 1.25 112.547 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -67.25 -29.77 69.49 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.597 0.713 . . . . 4.08 109.576 171.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -129.04 147.12 50.88 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-N 114.984 -1.007 . . . . 0.49 109.283 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -106.9 142.81 35.94 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.443 -0.577 . . . . 0.89 109.443 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.576 HG22 HG12 ' A' ' 51' ' ' ILE . 47.2 p -111.31 140.86 45.53 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-O 120.991 0.424 . . . . 0.49 110.778 -177.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -128.65 118.88 23.66 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.99 -0.55 . . . . 1.56 109.793 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.53 106.99 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.055 0.455 . . . . 0.54 111.115 -177.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.9 t -83.16 110.59 18.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.604 -0.726 . . . . 0.46 109.555 175.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -76.44 167.79 54.63 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.709 -0.758 . . . . 0.84 112.213 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -65.77 121.11 14.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.726 -0.472 . . . . 2.57 109.726 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -109.9 98.12 1.08 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.586 -0.816 . . . . 2.74 112.899 -175.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 68.2 -91.11 0.23 Allowed Glycine 0 C--N 1.33 0.225 0 C-N-CA 121.402 -0.428 . . . . 2.95 112.655 176.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -160.95 140.25 10.46 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.056 -0.72 . . . . 5.56 109.056 178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 90.81 -7.3 81.43 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.495 -0.859 . . . . 3.24 111.876 -177.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -117.0 90.21 32.3 Favored Pre-proline 0 C--N 1.327 -0.393 0 N-CA-C 110.248 -0.279 . . . . 4.97 110.248 178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.91 150.03 54.51 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.897 2.398 . . . . 1.87 111.465 178.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.9 m -60.33 133.51 56.16 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.079 -0.51 . . . . 0.89 110.264 178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -153.23 145.19 23.66 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.17 -0.468 . . . . 1.06 110.016 -176.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.46 121.22 60.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.307 0.575 . . . . 0.36 110.004 177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 30.9 ptt180 -99.35 133.95 42.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.808 -0.633 . . . . 2.62 110.885 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.576 HG12 HG22 ' A' ' 35' ' ' THR . 20.8 mt -108.64 112.48 40.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.526 -0.761 . . . . 0.42 109.187 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 21.4 t -116.87 136.54 53.65 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.096 -0.502 . . . . 0.46 109.905 -177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.22 99.52 24.05 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.512 -0.313 . . . . 0.93 110.749 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -83.76 -172.02 1.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.498 2.132 . . . . 1.67 111.767 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 56.3 48.09 17.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.359 0.599 . . . . 5.54 110.09 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -79.1 80.2 5.45 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.667 -0.697 . . . . 3.83 109.808 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -100.05 -39.84 7.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.717 -0.674 . . . . 6.04 110.109 -175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 -103.18 75.72 1.39 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.761 -0.654 . . . . 6.46 110.095 -177.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.0 t -121.62 100.53 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.08 0.467 . . . . 5.11 111.07 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -130.51 75.31 1.65 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.347 -0.612 . . . . 5.97 109.347 172.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -175.07 -95.0 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.613 0 CA-C-N 115.558 -0.746 . . . . 1.94 111.467 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -97.77 123.55 41.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.152 -0.685 . . . . 2.22 109.152 176.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.79 45.37 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.154 0.502 . . . . 1.16 111.434 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 -136.64 111.98 9.78 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.188 -0.46 . . . . 1.13 110.255 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.9 150.24 78.23 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.758 2.305 . . . . 1.08 111.748 178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.85 120.67 11.17 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.331 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -143.57 94.04 2.55 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.706 -0.679 . . . . 0.63 109.268 174.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 47.4 tp -109.97 134.28 52.28 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.491 -0.777 . . . . 0.32 110.66 -175.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -113.88 112.95 24.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.355 -0.384 . . . . 0.3 110.587 176.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 83.3 mt -102.92 115.73 31.16 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.976 -179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.5 t -129.21 150.44 50.59 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.274 -0.421 . . . . 0.75 110.265 173.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 32.1 m-90 -121.79 151.04 41.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.021 -0.536 . . . . 0.32 110.732 -174.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -57.27 130.18 45.07 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.338 -0.846 . . . . 1.02 111.016 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.1 m -60.6 -28.15 68.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.474 -0.785 . . . . 0.74 111.579 -175.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -57.42 -49.64 75.59 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.137 0.494 . . . . 1.98 110.213 175.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.504 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 13.0 mm-40 -56.36 -45.64 80.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.299 -0.864 . . . . 1.57 110.745 176.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.3 mt -58.96 -43.19 88.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.78 -0.646 . . . . 0.4 111.372 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -60.5 -40.26 90.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.054 -0.521 . . . . 2.15 110.798 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.472 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 16.2 tpt180 -68.16 -28.17 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.288 -0.415 . . . . 3.96 111.039 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.9 mt -62.66 -15.43 52.21 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.866 0.365 . . . . 0.55 111.41 -178.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 79.1 mtp -80.44 4.14 19.11 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.968 0.358 . . . . 2.59 111.968 -178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -119.81 171.42 8.43 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 122.281 -0.262 . . . . 2.34 110.859 178.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.52 -62.08 1.89 Allowed 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.62 0.6 . . . . 0.79 112.62 -175.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 2.7 p30 -68.22 -13.06 61.96 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 120.769 0.318 . . . . 1.76 110.626 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.472 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -73.11 -50.94 11.0 Favored Glycine 0 N--CA 1.443 -0.867 0 N-CA-C 110.827 -0.909 . . . . 0.43 110.827 177.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.07 -29.74 70.51 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.955 0.407 . . . . 0.57 110.741 174.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.93 -32.48 74.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.845 -0.616 . . . . 0.63 110.682 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' ASP . 25.3 mmm-85 -68.97 -36.74 78.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.209 0.528 . . . . 3.71 109.587 176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.551 ' CE2' HD11 ' A' ' 93' ' ' LEU . 81.5 t80 -62.67 -44.75 95.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.221 -0.9 . . . . 0.58 110.856 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -64.85 -41.52 95.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.286 0.565 . . . . 2.1 110.097 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -63.39 -33.32 75.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.263 -0.881 . . . . 4.06 110.519 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -77.73 -33.92 52.82 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.721 -0.672 . . . . 0.64 110.881 -178.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.551 HD11 ' CE2' ' A' ' 89' ' ' PHE . 94.0 mt -61.68 -43.42 98.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.963 0.411 . . . . 0.48 110.985 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.6 -18.28 63.6 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.37 -0.377 . . . . 0.44 111.074 179.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.71 -5.15 46.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.291 -0.413 . . . . 0.4 111.536 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 82.9 mt -49.65 -47.43 78.76 Favored Pre-proline 0 N--CA 1.468 0.436 0 N-CA-C 113.063 0.764 . . . . 0.56 113.063 -179.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.4 Cg_endo -52.55 -40.69 71.76 Favored 'Trans proline' 0 C--N 1.356 0.969 0 C-N-CA 122.236 1.957 . . . . 0.46 112.722 177.353 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -73.01 -36.52 67.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 4.22 110.99 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -70.69 -39.95 73.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.228 0.537 . . . . 1.52 109.768 179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 28.3 tp -61.29 -50.88 71.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.038 -0.983 . . . . 1.58 110.35 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.71 -32.33 71.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.915 -0.584 . . . . 0.41 110.948 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.48 -48.27 64.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.756 -0.656 . . . . 0.35 110.981 179.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -62.37 -36.81 83.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.45 -0.341 . . . . 0.44 110.784 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 35.9 mt-10 -60.54 -51.26 70.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.402 -0.363 . . . . 0.62 110.767 178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -70.53 -37.64 74.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.877 -0.601 . . . . 2.01 111.785 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.76 -47.75 14.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.197 0.443 . . . . 0.66 112.197 -173.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.8 mmm180 -94.54 -1.4 53.46 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.45 0.537 . . . . 1.35 112.45 -171.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.82 52.0 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.534 -0.841 . . . . 0.5 112.144 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.37 138.27 52.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.7 -0.482 . . . . 0.46 109.7 -176.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -127.67 96.51 4.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.84 110.222 -179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -65.64 -25.04 67.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.816 -0.629 . . . . 0.9 111.674 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -72.94 -34.37 58.95 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.72 -0.753 . . . . 0.89 112.471 -179.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m -96.19 -0.62 49.73 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.63 0.252 . . . . 1.38 110.833 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 62.23 22.34 13.1 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.843 -0.617 . . . . 2.7 111.177 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 2.8 p -133.79 168.39 18.81 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.113 -0.494 . . . . 0.8 111.111 -175.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -143.79 147.35 34.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.413 -0.358 . . . . 1.21 110.615 -178.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.59 7.74 28.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.84 110.88 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -110.0 165.22 11.9 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.833 -0.621 . . . . 1.07 109.907 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.89 -43.95 61.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.043 0.449 . . . . 0.91 109.937 177.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 57.7 tp -167.53 128.97 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.264 -1.013 . . . . 1.0 108.264 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG13 ' HA ' ' A' ' 68' ' ' LEU . 4.7 p -111.85 95.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 122.058 0.932 . . . . 0.5 111.143 -172.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.85 106.8 17.25 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.068 -0.969 . . . . 0.73 109.495 178.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.426 ' HB3' HD11 ' A' ' 126' ' ' LEU . 67.4 mt -98.58 110.78 23.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.164 0.507 . . . . 0.37 111.348 -175.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -113.46 169.7 13.04 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.473 -0.785 . . . . 0.34 111.52 175.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.7 19.52 79.0 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 120.829 -0.7 . . . . 0.4 113.267 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.426 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.0 mp -75.18 150.54 38.65 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.185 0.517 . . . . 0.39 111.153 178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.427 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 11.9 m-20 -125.65 173.82 8.72 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.706 -0.85 . . . . 1.11 108.706 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -100.02 39.03 1.38 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.403 0.621 . . . . 0.61 110.968 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -82.11 115.04 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.362 -0.835 . . . . 3.0 109.505 173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.671 -0.681 . . . . 2.26 110.456 -179.471 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.966 -0.454 . . . . 9.84 111.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.28 126.28 29.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.892 -0.181 . . . . 8.62 110.521 179.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.6 mmt 59.4 50.48 7.6 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.671 0.607 . . . . 9.31 110.974 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.3 40.58 2.47 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 5.55 111.703 178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 47.6 mtm -84.81 -56.47 3.56 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.434 -0.21 . . . . 6.19 110.434 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.4 t 60.35 77.3 0.38 Allowed Pre-proline 0 C--O 1.236 0.388 0 CA-C-N 115.797 -0.638 . . . . 2.78 110.372 -177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.92 -21.4 70.91 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.405 2.07 . . . . 1.35 112.107 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' HG3' ' A' ' 12' ' ' ARG . 11.8 m-20 -67.17 -43.69 81.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 2.18 110.452 176.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -64.56 -49.88 69.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.112 -0.495 . . . . 0.74 110.323 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.02 -42.79 95.11 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.637 -0.71 . . . . 0.6 111.433 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -69.37 -46.52 66.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 3.56 111.48 -175.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 8' ' ' ASP . 18.6 mtp180 -66.01 -38.15 87.73 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.076 -0.25 . . . . 3.49 111.211 -176.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -67.84 -45.51 74.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.992 0.425 . . . . 0.51 110.033 177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.42 ' OD1' ' HA2' ' A' ' 39' ' ' GLY . 33.1 t70 -62.13 -31.63 72.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.466 -0.788 . . . . 0.87 111.925 -178.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.472 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 25.0 p -98.54 -40.12 8.39 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.013 0.745 . . . . 1.51 113.013 -174.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -95.41 -45.74 6.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.47 0.545 . . . . 1.81 112.47 -174.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' O ' HG13 ' A' ' 21' ' ' ILE . 76.6 m-85 -90.54 -48.31 7.16 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.614 -0.435 . . . . 0.72 112.165 -170.156 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.04 -47.56 98.56 Favored Pre-proline 0 CA--C 1.539 0.551 0 N-CA-C 112.889 0.7 . . . . 0.32 112.889 -175.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.472 ' HG2' ' O ' ' A' ' 15' ' ' THR . 46.8 Cg_exo -59.9 -31.98 94.55 Favored 'Trans proline' 0 C--N 1.358 1.031 0 C-N-CA 121.843 1.696 . . . . 0.37 112.305 177.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -75.0 -31.47 61.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.24 -0.436 . . . . 3.58 110.525 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 17' ' ' PHE . 68.1 mt -66.49 -52.67 43.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 N-CA-C 109.685 -0.487 . . . . 0.38 109.685 176.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.56 83.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.679 -0.691 . . . . 0.28 111.548 -178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.9 ttp180 -69.08 -40.23 78.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.263 -0.426 . . . . 3.36 110.502 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.89 -45.56 81.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.731 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.6 mt -62.64 -44.93 99.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.752 -0.658 . . . . 1.05 110.659 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.44 -38.4 80.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.109 -0.496 . . . . 0.42 110.853 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -70.89 -41.81 70.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.732 -0.667 . . . . 0.86 110.834 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.8 tp -66.33 -33.81 76.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.867 -0.606 . . . . 1.69 110.566 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.6 mt -86.79 4.95 38.9 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.103 -0.499 . . . . 0.49 110.811 178.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 57.16 32.7 22.15 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.948 -0.569 . . . . 1.44 111.427 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 57.16 33.06 22.75 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.434 -0.803 . . . . 1.25 112.156 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.8 mtm180 -87.2 -17.39 32.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.217 0.532 . . . . 4.08 110.048 174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -126.2 154.61 43.02 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.577 -0.738 . . . . 0.49 109.746 178.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.7 t60 -100.43 128.46 46.48 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.892 -0.411 . . . . 0.89 109.892 -176.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 32.3 p -111.4 137.91 48.57 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.73 0.3 . . . . 0.49 110.425 179.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -128.67 122.5 30.94 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.273 -0.421 . . . . 1.56 110.713 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 17.4 t -87.52 100.02 9.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.876 -0.602 . . . . 0.54 110.395 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 40.5 t -72.87 117.75 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 N-CA-C 109.586 -0.524 . . . . 0.46 109.586 176.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.42 ' HA2' ' OD1' ' A' ' 14' ' ' ASP . . . -73.41 160.35 53.73 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.908 -0.663 . . . . 0.84 113.178 -174.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.543 ' CD2' ' HA ' ' A' ' 46' ' ' PRO . 30.3 t80 -66.02 113.4 4.42 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.151 -0.685 . . . . 2.57 109.151 177.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.51 -23.69 25.7 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.591 -0.814 . . . . 2.74 112.558 -174.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.94 173.82 46.65 Favored Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.003 -0.839 . . . . 2.95 111.003 -175.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 55.08 45.88 25.28 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.505 0.669 . . . . 5.56 110.453 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.12 33.73 35.35 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.716 -0.674 . . . . 3.24 112.952 177.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 51.1 m80 -129.23 90.92 43.49 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.662 0.268 . . . . 4.97 110.489 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.543 ' HA ' ' CD2' ' A' ' 40' ' ' TYR . 6.3 Cg_exo -79.92 160.72 24.18 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 123.441 2.761 . . . . 1.87 112.459 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.6 m -66.06 141.95 57.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.888 -0.596 . . . . 0.89 110.666 176.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -156.87 154.18 29.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.132 -0.485 . . . . 1.06 110.119 -178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -116.21 121.26 67.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.471 0.653 . . . . 0.36 110.611 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.9 ptt180 -103.6 140.85 36.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.562 -0.744 . . . . 2.62 111.273 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.5 mt -109.56 118.44 56.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.62 -0.718 . . . . 0.42 109.097 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 47.3 t -123.89 141.65 43.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.31 -0.405 . . . . 0.46 110.622 -176.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.31 101.23 14.02 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.349 -0.387 . . . . 0.93 109.996 175.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_endo -78.33 -1.64 11.78 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.578 2.185 . . . . 1.67 113.018 -175.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -143.3 126.37 16.39 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.944 -0.391 . . . . 5.54 109.944 179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.36 138.33 40.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.463 -0.335 . . . . 3.83 110.615 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HG2' ' H ' ' A' ' 58' ' ' HIS . 32.3 tt0 -89.47 171.01 10.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.338 -0.392 . . . . 6.04 110.037 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.501 ' H ' ' HG2' ' A' ' 57' ' ' GLU . 15.4 p-80 -78.68 29.43 0.2 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.381 0.511 . . . . 6.46 112.381 -175.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.432 ' HB ' ' OG ' ' A' ' 113' ' ' SER . 43.9 t -132.06 82.47 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 109.04 -0.726 . . . . 5.11 109.04 176.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.1 ptt180 -91.68 47.95 1.41 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.877 -0.601 . . . . 5.97 111.25 -175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -61.06 -58.21 14.75 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.931 -0.868 . . . . 1.94 110.931 176.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -103.24 135.23 45.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.468 -0.567 . . . . 2.22 109.468 175.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.75 47.06 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.261 0.553 . . . . 1.16 110.916 -177.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 92.7 m-70 -141.33 111.94 6.55 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.027 -0.533 . . . . 1.13 110.195 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -68.6 148.37 72.22 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.382 2.054 . . . . 1.08 110.991 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.6 tt -59.98 121.07 10.9 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.011 0.434 . . . . 1.2 110.12 -178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -142.84 88.09 2.03 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-N 115.517 -0.765 . . . . 0.63 109.305 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.454 ' HA ' HG13 ' A' ' 121' ' ' VAL . 49.7 tp -111.44 135.36 52.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.672 -0.695 . . . . 0.32 111.233 -174.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.59 138.83 50.17 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.059 -0.518 . . . . 0.3 109.782 173.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.9 mt -122.91 121.72 36.85 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.413 -0.358 . . . . 0.28 110.717 -175.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.455 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 36.9 p -127.84 149.62 50.2 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.356 -0.609 . . . . 0.75 109.356 176.397 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 31.4 m-90 -126.76 150.38 49.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.064 0.459 . . . . 0.32 111.015 -175.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -61.57 132.72 54.25 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.149 -0.932 . . . . 1.02 110.836 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.411 ' O ' ' HG3' ' A' ' 78' ' ' GLU . 22.1 m -60.64 -28.25 68.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.245 -0.889 . . . . 0.74 112.051 -174.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 30.2 m-20 -58.0 -48.66 79.35 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-O 121.461 0.648 . . . . 1.98 109.92 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.566 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 17.3 mm-40 -57.73 -46.1 84.9 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.783 -1.099 . . . . 1.57 110.595 177.011 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.2 mt -57.6 -43.43 83.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.975 -0.557 . . . . 0.4 111.267 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 74' ' ' THR . 48.8 mt-10 -65.06 -38.85 92.15 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.858 0.361 . . . . 2.15 110.852 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 39.3 ttp-105 -67.44 -29.31 68.75 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.078 -0.51 . . . . 3.96 111.004 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 65.3 mt -65.16 -24.54 67.42 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.397 -0.365 . . . . 0.55 111.427 -178.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 86.8 mtp -66.55 -16.69 64.34 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.432 -0.349 . . . . 2.59 111.418 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -92.78 163.14 13.84 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.449 -0.342 . . . . 2.34 110.687 -177.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.12 -49.87 75.45 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 111.828 0.307 . . . . 0.79 111.828 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -65.88 -20.3 66.18 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 121.362 0.601 . . . . 1.76 110.083 179.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.74 -46.14 25.22 Favored Glycine 0 N--CA 1.442 -0.921 0 N-CA-C 111.251 -0.74 . . . . 0.43 111.251 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -58.39 -40.57 82.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.948 0.404 . . . . 0.57 111.093 173.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.23 -32.86 74.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.151 0.501 . . . . 0.63 110.306 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -68.47 -38.53 81.13 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.774 -0.648 . . . . 3.71 109.638 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.53 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 81.0 t80 -61.18 -37.77 84.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.489 -0.778 . . . . 0.58 110.23 177.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -62.81 -41.7 99.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.844 -0.616 . . . . 2.1 110.319 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -73.0 -26.17 61.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.845 -0.616 . . . . 4.06 110.154 -179.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -70.37 -35.81 73.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.884 -0.598 . . . . 0.64 109.803 177.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 86.5 mt -63.27 -38.14 90.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.85 -0.614 . . . . 0.48 110.399 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.92 -18.56 63.39 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.891 -0.595 . . . . 0.44 111.229 178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -100.04 -0.97 38.12 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.32 -0.4 . . . . 0.4 111.487 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.8 mt -54.14 -49.25 91.1 Favored Pre-proline 0 CA--C 1.535 0.402 0 N-CA-C 112.344 0.498 . . . . 0.56 112.344 177.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 11.8 Cg_endo -55.53 -31.07 77.04 Favored 'Trans proline' 0 C--N 1.355 0.894 0 C-N-CA 122.187 1.925 . . . . 0.46 112.361 176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -77.67 -33.31 53.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.183 -0.462 . . . . 4.22 110.085 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 31.7 mmtm -67.11 -44.55 79.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.321 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.715 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 9.6 mp -56.29 -47.59 78.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.973 -0.558 . . . . 1.58 110.267 176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.97 -43.0 86.21 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.209 -0.451 . . . . 0.41 111.027 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.51 -45.37 83.83 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.786 -0.643 . . . . 0.35 111.033 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 32.8 m0 -66.38 -31.37 72.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.324 -0.398 . . . . 0.44 111.131 -178.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.715 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 41.9 mt-10 -63.27 -52.05 63.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 0.62 110.275 177.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -67.82 -42.06 82.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.455 -0.793 . . . . 2.01 111.768 -178.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.1 -43.59 16.07 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.877 0.695 . . . . 0.66 112.877 -171.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -101.12 -2.76 30.63 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 113.192 0.812 . . . . 1.35 113.192 -169.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 73.28 46.32 27.26 Favored Glycine 0 C--O 1.234 0.142 0 C-N-CA 120.163 -1.018 . . . . 0.5 111.874 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 104' ' ' GLU . 95.8 t -121.86 138.02 53.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 N-CA-C 108.987 -0.746 . . . . 0.46 108.987 -177.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -125.11 109.67 13.18 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.442 -0.503 . . . . 0.84 110.419 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -77.58 -10.62 59.6 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.066 -0.515 . . . . 0.9 111.29 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -71.14 -56.63 6.81 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.667 -0.778 . . . . 0.89 111.991 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.432 ' OG ' ' HB ' ' A' ' 59' ' ' VAL . 9.5 t -95.04 -6.46 42.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.849 0.357 . . . . 1.38 110.88 -178.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 66.25 34.35 6.62 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.808 -0.633 . . . . 2.7 111.118 178.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 4.5 p -120.8 159.71 24.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.391 -0.822 . . . . 0.8 109.84 177.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.485 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -143.4 152.05 41.11 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.755 -0.378 . . . . 1.21 110.637 -178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -89.84 5.17 47.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.108 -0.497 . . . . 0.84 111.025 -178.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -112.91 151.82 30.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.186 -0.461 . . . . 1.07 109.879 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -78.6 -23.05 46.16 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.86 -0.609 . . . . 0.91 110.962 -179.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 37.5 tp -169.01 123.97 0.87 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.622 -0.51 . . . . 1.0 109.622 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG13 ' HA ' ' A' ' 68' ' ' LEU . 6.1 p -121.99 98.67 6.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 122.09 0.948 . . . . 0.5 111.344 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 23.7 mt -110.06 105.11 14.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.991 -1.004 . . . . 0.73 109.095 178.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 78.9 mt -94.36 121.44 35.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.305 0.574 . . . . 0.37 111.671 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.455 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -117.77 164.41 12.68 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.377 -0.829 . . . . 0.34 111.711 175.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 79.5 23.0 63.53 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.61 -0.805 . . . . 0.4 113.19 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 11.0 mp -78.12 150.29 33.69 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.755 0.312 . . . . 0.39 110.261 176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.53 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 18.5 m-20 -122.96 161.25 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.223 -0.444 . . . . 1.11 111.042 -176.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -108.86 36.38 2.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.983 -0.553 . . . . 0.61 110.102 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -76.32 119.92 20.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.872 -0.603 . . . . 3.0 109.693 177.57 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.936 0 CA-C-O 118.845 -0.597 . . . . 2.26 109.924 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.682 0 N-CA-C 112.159 -0.377 . . . . 9.84 112.159 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.7 13.65 16.26 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.077 0.465 . . . . 8.62 110.501 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.9 ptm -80.01 164.04 23.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.925 -0.58 . . . . 9.31 110.254 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.78 36.93 46.37 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.698 -0.763 . . . . 5.55 111.362 -175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 66.2 mtt -143.45 -61.45 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.125 -0.324 . . . . 6.19 110.125 -178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 m 54.14 55.87 12.35 Favored Pre-proline 0 CA--C 1.537 0.458 0 CA-C-N 115.655 -0.702 . . . . 2.78 111.433 -176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -76.97 -27.16 7.19 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.238 1.958 . . . . 1.35 111.849 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -80.6 -36.14 33.16 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.642 -0.708 . . . . 2.18 109.876 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 m -66.31 -45.17 81.27 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.187 0.518 . . . . 0.74 110.058 175.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.49 -40.64 97.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.306 -0.861 . . . . 0.6 110.55 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -69.11 -36.94 78.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 3.56 110.84 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -62.41 -48.16 80.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 3.49 110.437 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -62.42 -41.6 98.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.899 -0.591 . . . . 0.51 109.842 178.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.428 ' OD2' ' HA2' ' A' ' 39' ' ' GLY . 14.8 t70 -63.32 -40.68 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.71 . . . . 0.87 111.323 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.451 ' O ' ' HG2' ' A' ' 19' ' ' PRO . 29.1 m -80.2 -45.69 17.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.194 -0.457 . . . . 1.51 112.152 -173.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.661 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 10.1 tp10 -98.15 -46.58 5.8 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.992 -0.683 . . . . 1.81 112.555 -174.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 32.7 m-85 -81.33 -48.61 11.75 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.233 0.457 . . . . 0.72 112.233 -168.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.66 -46.93 99.66 Favored Pre-proline 0 CA--C 1.539 0.52 0 N-CA-C 112.65 0.611 . . . . 0.32 112.65 -176.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.469 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 50.1 Cg_exo -58.32 -33.72 97.98 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.888 1.725 . . . . 0.37 112.369 176.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.661 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 24.3 mmt180 -67.84 -39.68 83.82 Favored 'General case' 0 CA--C 1.518 -0.277 0 N-CA-C 109.86 -0.422 . . . . 3.58 109.86 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 56.2 mt -65.8 -50.77 68.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.727 -0.669 . . . . 0.38 110.031 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.71 -36.9 85.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.832 -0.622 . . . . 0.28 111.497 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -70.32 -42.93 71.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.359 -0.382 . . . . 3.36 110.621 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.49 97.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.35 110.785 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 75.7 mt -65.78 -44.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.068 -0.515 . . . . 1.05 110.764 178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.52 -39.7 80.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.217 0.532 . . . . 0.42 110.775 179.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.85 -38.29 73.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.382 -0.827 . . . . 0.86 110.9 178.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.422 ' O ' HD13 ' A' ' 28' ' ' LEU . 2.8 tm? -63.89 -37.8 88.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.749 -0.66 . . . . 1.69 109.664 -178.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -91.96 7.67 41.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.984 -0.553 . . . . 0.49 110.757 -179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.0 m120 52.81 35.48 18.91 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.673 -0.694 . . . . 1.44 111.83 177.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 33.7 m170 62.79 17.6 10.01 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.804 -0.634 . . . . 1.25 112.288 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -73.46 -25.0 60.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.413 0.625 . . . . 4.08 109.993 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.83 161.42 19.33 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.139 -0.937 . . . . 0.49 108.942 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.7 t60 -110.34 129.39 55.76 Favored 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.559 -0.534 . . . . 0.89 109.559 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 22.4 p -110.89 148.32 32.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 120.963 0.411 . . . . 0.49 110.904 -177.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.14 141.37 42.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.976 -0.557 . . . . 1.56 109.8 -178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 31.3 t -103.44 109.23 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.54 110.424 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.3 t -69.53 111.77 3.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.448 -0.575 . . . . 0.46 109.448 176.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.428 ' HA2' ' OD2' ' A' ' 14' ' ' ASP . . . -83.93 145.6 22.63 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.845 -0.693 . . . . 0.84 113.338 -174.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.431 ' OH ' ' HA ' ' A' ' 43' ' ' HIS . 54.2 t80 -74.57 122.9 23.84 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.508 -0.553 . . . . 2.57 109.508 175.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -99.77 -110.79 3.19 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.612 -0.804 . . . . 2.74 111.858 179.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -74.84 -53.7 6.24 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.576 -0.821 . . . . 2.95 111.791 179.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.431 ' HA ' ' OH ' ' A' ' 40' ' ' TYR . 3.2 t-160 -177.43 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.954 0.407 . . . . 5.56 110.051 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.91 -32.14 83.17 Favored Glycine 0 N--CA 1.451 -0.301 0 CA-C-N 115.763 -0.653 . . . . 3.24 114.003 -173.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -102.36 109.71 61.08 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 117.268 0.534 . . . . 4.97 110.944 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -80.03 140.68 14.35 Favored 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.741 2.294 . . . . 1.87 111.773 176.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 ' OG1' ' HB2' ' A' ' 40' ' ' TYR . 54.7 m -60.67 137.81 58.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.89 111.309 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -165.61 159.67 16.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.733 -0.667 . . . . 1.06 109.355 -178.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -114.24 122.1 67.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.369 0.604 . . . . 0.36 110.784 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 33.0 ptt180 -104.97 136.3 44.71 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.406 -0.816 . . . . 2.62 110.929 178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 68' ' ' LEU . 23.5 mt -108.98 120.08 59.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.732 -0.667 . . . . 0.42 109.392 177.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.5 t -115.65 131.59 67.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.069 -178.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . . . -114.25 115.37 45.14 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.165 -0.47 . . . . 0.93 110.401 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' ALA . 9.5 Cg_exo -70.15 69.78 1.83 Allowed 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.653 2.235 . . . . 1.67 112.054 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -109.39 94.86 5.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.957 -0.565 . . . . 5.54 110.041 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.71 150.59 47.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.994 -0.548 . . . . 3.83 110.428 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -87.98 120.36 29.24 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.142 -0.688 . . . . 6.04 109.142 179.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -146.17 66.01 1.2 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.143 0.496 . . . . 6.46 110.712 -178.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 83.0 t 74.97 -58.18 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-N 115.294 -0.866 . . . . 5.11 112.158 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -91.41 139.43 30.72 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 110.355 -0.239 . . . . 5.97 110.355 -175.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.04 -174.3 28.69 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.074 -0.584 . . . . 1.94 111.849 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -92.22 146.86 23.38 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.95 -0.389 . . . . 2.22 109.95 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.94 35.03 0.56 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.072 0.463 . . . . 1.16 111.099 -179.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.9 m-70 -136.71 100.37 10.04 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.145 -0.48 . . . . 1.13 110.155 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -71.84 147.53 50.21 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.329 2.02 . . . . 1.08 111.081 176.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 47.4 tp -63.33 125.84 25.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.044 -0.525 . . . . 1.2 111.362 -176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -142.06 88.03 2.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.407 -0.815 . . . . 0.63 108.848 174.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.566 HD23 HD12 ' A' ' 51' ' ' ILE . 52.5 tp -103.47 130.3 50.8 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.786 -0.643 . . . . 0.32 111.351 -174.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.439 ' HB3' HD22 ' A' ' 122' ' ' LEU . . . -115.75 107.35 14.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.115 -0.493 . . . . 0.3 110.808 175.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.6 mt -91.39 124.33 35.5 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.014 -0.539 . . . . 0.28 110.724 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.42 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 28.2 p -128.83 149.87 50.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.834 -0.432 . . . . 0.75 109.834 176.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 29.8 m-90 -124.55 154.19 40.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.116 0.484 . . . . 0.32 111.488 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.509 ' OD1' ' HA2' ' A' ' 125' ' ' GLY . 85.6 m-20 -62.46 125.58 24.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.269 -0.878 . . . . 1.02 110.998 -179.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.6 m -60.4 -32.81 71.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.369 -0.832 . . . . 0.74 112.171 -174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.8 -45.34 86.64 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.114 0.483 . . . . 1.98 109.99 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 3.7 tp10 -60.43 -40.14 89.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.504 -0.771 . . . . 1.57 110.695 176.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.2 mt -58.8 -45.66 91.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 120.951 0.405 . . . . 0.4 110.263 175.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.17 -40.17 92.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.818 -0.628 . . . . 2.15 110.364 178.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.561 ' HA ' ' NE ' ' A' ' 79' ' ' ARG . 1.0 OUTLIER -62.4 -27.22 68.94 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.725 -0.67 . . . . 3.96 111.717 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.21 -7.6 19.26 Favored 'General case' 0 N--CA 1.464 0.242 0 N-CA-C 111.674 0.249 . . . . 0.55 111.674 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 87.0 mmm -66.6 -11.85 55.3 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.676 0.25 . . . . 2.59 111.676 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.435 ' HG2' ' HE ' ' A' ' 79' ' ' ARG . 52.4 mm-40 -82.37 155.1 24.9 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.11 -0.33 . . . . 2.34 110.11 177.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.28 -29.96 70.78 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.33 0.586 . . . . 0.79 109.502 172.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.46 -20.31 64.41 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.159 -0.928 . . . . 1.76 110.005 174.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -74.99 -47.61 13.17 Favored Glycine 0 N--CA 1.443 -0.896 0 CA-C-N 115.554 -0.748 . . . . 0.43 111.921 -177.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.74 -43.69 76.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.931 0.396 . . . . 0.57 111.038 175.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.83 88.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.15 -0.477 . . . . 0.63 111.009 177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -72.91 -33.71 66.17 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.155 -0.475 . . . . 3.71 110.815 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 63.1 t80 -66.0 -38.01 87.38 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.264 -0.425 . . . . 0.58 110.411 -179.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -66.55 -39.12 88.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.267 0.556 . . . . 2.1 109.788 176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.473 ' HG3' ' HB3' ' A' ' 130' ' ' ALA . 26.1 tpt180 -64.02 -33.06 74.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.142 -0.936 . . . . 4.06 110.562 176.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -72.45 -40.12 67.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 0.64 110.476 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 88.0 mt -64.32 -34.29 77.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.137 -0.483 . . . . 0.48 110.462 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -68.52 -25.38 64.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.0 -0.545 . . . . 0.44 111.425 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -93.71 -3.75 51.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.388 -0.369 . . . . 0.4 111.934 -175.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.5 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 89.1 mt -48.04 -52.57 39.65 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 112.716 0.636 . . . . 0.56 112.716 -179.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.5 Cg_endo -51.6 -41.35 61.48 Favored 'Trans proline' 0 C--N 1.355 0.889 0 C-N-CA 122.29 1.994 . . . . 0.46 112.822 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -74.24 -37.56 63.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.154 -0.476 . . . . 4.22 111.311 -175.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -73.44 -37.78 65.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.707 0.289 . . . . 1.52 110.999 179.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.0 mm? -62.16 -44.81 95.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.137 -0.483 . . . . 1.58 110.526 176.553 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.37 77.59 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.162 -0.472 . . . . 0.41 110.849 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.83 -43.99 78.29 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.668 -0.697 . . . . 0.35 110.555 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -65.21 -31.99 73.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.44 110.999 179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 47.8 mt-10 -59.46 -51.26 70.65 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.244 0.545 . . . . 0.62 110.291 175.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -68.0 -41.07 82.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.323 -0.853 . . . . 2.01 111.499 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.09 -47.14 11.97 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.483 0.549 . . . . 0.66 112.483 -172.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -93.43 1.55 56.81 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.836 0.68 . . . . 1.35 112.836 -171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.66 52.56 9.64 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.535 -0.84 . . . . 0.5 112.344 176.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 63.0 t -128.82 148.72 33.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 N-CA-C 109.528 -0.545 . . . . 0.46 109.528 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -134.79 102.84 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.859 0.362 . . . . 0.84 110.057 177.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -72.64 -17.96 61.62 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.101 -0.499 . . . . 0.9 111.756 -176.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -67.63 -49.59 48.96 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.537 -0.84 . . . . 0.89 111.769 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.2 t -85.79 -6.34 59.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.065 0.46 . . . . 1.38 110.307 178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 63.66 41.01 7.44 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.305 -0.861 . . . . 2.7 110.727 178.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 16.0 p -133.77 162.34 32.24 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.388 -0.824 . . . . 0.8 111.164 -176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.0 pt20 -135.65 147.41 48.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.729 -0.471 . . . . 1.21 109.729 177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -96.54 26.84 4.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.303 0.573 . . . . 0.84 110.205 178.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -127.75 159.98 33.12 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.637 -0.71 . . . . 1.07 109.795 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.61 -33.88 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.455 . . . . 0.91 110.359 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 53.0 tp -167.61 125.9 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.436 -0.579 . . . . 1.0 109.436 -177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.436 HG13 ' HA ' ' A' ' 68' ' ' LEU . 5.0 p -110.07 95.33 3.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 122.261 1.029 . . . . 0.5 111.15 -177.025 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.439 HD22 ' HB3' ' A' ' 69' ' ' ALA . 40.1 mt -103.95 135.53 45.29 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.681 -1.145 . . . . 0.73 108.811 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.457 ' HB3' HD11 ' A' ' 126' ' ' LEU . 70.7 mt -125.14 108.0 11.34 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.841 -0.429 . . . . 0.37 109.841 -174.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.42 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -112.43 162.3 12.44 Favored Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.943 -0.646 . . . . 0.34 112.28 -179.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . 0.509 ' HA2' ' OD1' ' A' ' 73' ' ' ASN . . . 72.8 28.98 65.99 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.898 -0.668 . . . . 0.4 113.071 177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.457 HD11 ' HB3' ' A' ' 123' ' ' LEU . 11.2 mp -77.86 147.47 35.11 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.103 0.478 . . . . 0.39 111.181 178.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 32.5 m-20 -122.2 170.0 10.33 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.375 -0.829 . . . . 1.11 108.933 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -104.96 38.66 1.88 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.894 0.378 . . . . 0.61 110.99 -176.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -86.43 125.9 34.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.162 -0.472 . . . . 3.0 109.912 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.473 ' HB3' ' HG3' ' A' ' 91' ' ' ARG . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 115.775 -0.648 . . . . 2.26 109.904 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 112.308 -0.317 . . . . 9.84 112.308 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.745 0.307 . . . . 8.62 111.682 -175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.2 ptm -89.26 14.84 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.925 0.393 . . . . 9.31 110.957 -178.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.08 12.62 6.78 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.879 -0.677 . . . . 5.55 111.897 178.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -116.97 26.72 9.6 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.443 0.64 . . . . 6.19 110.311 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.0 m -140.03 62.21 20.51 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.545 -0.752 . . . . 2.78 110.565 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -67.09 -35.77 24.2 Favored 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.324 2.016 . . . . 1.35 111.996 -177.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -62.59 -51.17 68.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.048 -0.523 . . . . 2.18 110.904 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 34.6 m -60.25 -47.12 87.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 0.74 111.184 179.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.07 87.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.521 -0.763 . . . . 0.6 111.033 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -65.26 -46.22 81.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.915 -0.584 . . . . 3.56 110.733 -178.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HD3' ' SD ' ' A' ' 81' ' ' MET . 56.8 ttt180 -67.1 -38.74 86.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 3.49 110.839 -176.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -64.09 -44.29 92.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.872 0.368 . . . . 0.51 110.292 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' O ' ' HD3' ' A' ' 19' ' ' PRO . 5.7 t70 -65.51 -32.78 74.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.016 -0.538 . . . . 0.87 111.773 -178.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 12.3 t -91.94 -40.63 11.03 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.345 -0.542 . . . . 1.51 112.211 -174.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -96.78 -43.1 7.67 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.613 0.598 . . . . 1.81 112.613 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -91.43 -52.22 4.9 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.198 0.444 . . . . 0.72 112.198 -170.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.42 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -55.68 -46.89 99.67 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.592 0.96 . . . . 0.32 113.592 -173.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.42 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 45.0 Cg_exo -60.32 -27.04 84.09 Favored 'Trans proline' 0 C--N 1.356 0.97 0 C-N-CA 121.857 1.704 . . . . 0.37 112.34 179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.2 tpp180 -72.27 -38.82 68.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 3.58 109.97 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -67.07 -49.76 70.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 0.38 109.905 178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.521 -0.763 . . . . 0.28 111.532 -177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -70.79 -45.55 64.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.307 -0.406 . . . . 3.36 111.123 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.94 -44.01 97.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.35 110.971 -178.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.0 mt -67.71 -41.61 85.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 1.05 110.644 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.73 -44.54 96.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 0.42 110.971 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -70.73 -33.3 70.69 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.092 -0.503 . . . . 0.86 110.778 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.48 -35.06 75.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.71 -0.677 . . . . 1.69 110.647 -179.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.8 mt -94.23 11.47 30.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.911 -0.586 . . . . 0.49 110.629 -179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 53.57 32.18 13.86 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.644 -0.707 . . . . 1.44 111.597 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 62.17 25.62 15.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.499 -0.773 . . . . 1.25 112.627 178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.0 mtt180 -72.78 -24.85 60.99 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.336 0.589 . . . . 4.08 109.604 172.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -119.42 143.61 47.38 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.113 -0.949 . . . . 0.49 109.327 174.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -102.54 136.51 42.25 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.476 -0.564 . . . . 0.89 109.476 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.445 HG22 HG12 ' A' ' 51' ' ' ILE . 40.2 p -111.38 140.15 46.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.025 0.44 . . . . 0.49 111.006 -175.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -131.09 118.29 20.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.173 -0.467 . . . . 1.56 110.349 -179.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 89.3 t -83.94 108.45 16.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.034 -0.53 . . . . 0.54 111.004 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.541 ' O ' ' HA ' ' A' ' 47' ' ' THR . 44.0 t -83.02 101.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.85 -0.796 . . . . 0.46 108.85 174.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -88.6 -176.26 47.08 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.454 -0.879 . . . . 0.84 112.527 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 22.5 t80 -70.04 114.15 7.93 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.174 -0.676 . . . . 2.57 109.174 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.53 72.16 0.94 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.661 -0.781 . . . . 2.74 112.665 -173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 78.94 -62.86 3.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 121.192 -0.528 . . . . 2.95 112.251 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 31.6 t60 -148.45 -29.81 0.29 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.577 -0.527 . . . . 5.56 109.577 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -103.07 -157.44 25.18 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.621 -0.718 . . . . 3.24 111.55 177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.7 m170 63.94 89.98 0.1 OUTLIER Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.712 0.405 . . . . 4.97 110.588 -178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.423 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 20.4 Cg_endo -61.32 129.06 26.88 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.413 2.075 . . . . 1.87 111.663 -179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.541 ' HA ' ' O ' ' A' ' 38' ' ' VAL . 14.8 m -67.06 124.36 22.83 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.014 -0.539 . . . . 0.89 111.134 -177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 46' ' ' PRO . 22.7 pt20 -167.23 165.56 15.26 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.589 -0.732 . . . . 1.06 109.496 -176.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.2 p -118.91 122.92 70.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-O 121.423 0.63 . . . . 0.36 109.879 175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 27.1 ptt180 -103.41 131.54 50.42 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.736 -0.666 . . . . 2.62 110.18 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 HD23 ' A' ' 68' ' ' LEU . 33.1 mt -109.47 120.65 61.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.69 -0.687 . . . . 0.42 109.69 -179.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 32.5 t -119.14 135.48 59.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 109.123 -0.695 . . . . 0.46 109.123 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . . . -123.13 104.93 34.78 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 120.708 -0.397 . . . . 0.93 111.215 -176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -87.03 136.61 4.23 Favored 'Trans proline' 0 N--CA 1.449 -1.133 0 C-N-CA 122.649 2.233 . . . . 1.67 110.825 172.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -97.89 87.45 4.0 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.246 0.546 . . . . 5.54 111.144 -176.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.26 -37.18 86.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.484 0.659 . . . . 3.83 109.493 173.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -70.83 140.74 51.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.037 -0.983 . . . . 6.04 108.949 172.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -80.87 60.97 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.486 0.66 . . . . 6.46 110.902 -178.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 20.7 t -90.18 76.95 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.213 -0.903 . . . . 5.11 108.937 175.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 tpt180 -77.4 75.05 3.97 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.372 -0.831 . . . . 5.97 110.167 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -98.43 -76.55 1.28 Allowed Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.507 -0.77 . . . . 1.94 111.65 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -104.08 136.92 42.82 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.851 -0.425 . . . . 2.22 109.851 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.42 50.12 1.89 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.097 0.475 . . . . 1.16 111.365 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.566 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 89.1 m-70 -140.73 122.11 9.22 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.223 -0.444 . . . . 1.13 109.89 178.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.99 135.65 41.67 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.199 1.932 . . . . 1.08 111.223 176.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.635 ' HB3' ' HB3' ' A' ' 53' ' ' ALA . 7.2 tt -76.99 130.61 37.71 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.217 -0.447 . . . . 1.2 110.674 -175.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -152.38 136.65 16.63 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.514 -0.921 . . . . 0.63 108.514 176.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.46 HD23 HD12 ' A' ' 51' ' ' ILE . 33.2 tp -144.85 131.24 19.69 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.619 -0.511 . . . . 0.32 109.619 -170.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.12 107.23 15.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.909 0.385 . . . . 0.3 110.941 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.0 mt -95.13 114.02 25.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.28 110.212 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.595 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 44.8 p -119.52 149.24 42.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.899 -0.408 . . . . 0.75 109.899 177.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 25.7 m-90 -126.07 153.66 44.16 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.753 0.311 . . . . 0.32 110.299 -178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -57.38 122.3 12.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.5 -0.773 . . . . 1.02 111.063 -178.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 7.5 m -59.3 -29.06 67.33 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.74 111.376 -177.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -69.32 -44.26 72.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.351 0.596 . . . . 1.98 109.481 177.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.481 ' OE1' ' HA ' ' A' ' 76' ' ' GLU . 4.4 tp10 -59.28 -38.89 81.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.039 -0.982 . . . . 1.57 110.908 177.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 58.1 mt -57.78 -43.84 84.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.811 0.338 . . . . 0.4 110.587 176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -62.66 -39.85 95.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.238 0.542 . . . . 2.15 110.137 177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.5 tmm_? -67.92 -26.99 66.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.714 -0.675 . . . . 3.96 111.337 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 71.2 mt -63.09 -13.38 35.53 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.627 0.251 . . . . 0.55 111.665 179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.473 ' SD ' ' HD3' ' A' ' 12' ' ' ARG . 51.7 mmm -73.29 -17.9 61.26 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 2.59 111.117 178.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.95 153.38 26.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.185 -0.672 . . . . 2.34 109.185 178.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.85 -36.0 75.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.868 0.366 . . . . 0.79 110.843 178.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -66.01 -29.74 70.16 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.314 0.578 . . . . 1.76 110.353 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.74 -48.49 8.75 Favored Glycine 0 N--CA 1.442 -0.916 0 CA-C-N 115.648 -0.705 . . . . 0.43 111.382 -177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.06 -40.0 72.9 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.677 0.251 . . . . 0.57 111.677 174.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.77 -36.21 78.37 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.022 0.439 . . . . 0.63 111.07 177.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 88' ' ' ARG . 1.3 tpm_? -67.83 -40.54 83.73 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.966 -0.561 . . . . 3.71 109.783 178.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -63.39 -40.63 97.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.678 -0.692 . . . . 0.58 110.827 -178.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -59.06 -44.57 91.85 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.121 0.486 . . . . 2.1 110.709 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -75.9 -16.06 60.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.13 -0.487 . . . . 4.06 110.406 -177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -76.82 -34.16 57.93 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.424 -0.584 . . . . 0.64 109.424 177.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -62.49 -39.14 92.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.637 -0.711 . . . . 0.48 109.846 176.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -69.81 -17.95 63.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.633 -0.712 . . . . 0.44 111.736 177.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.4 -1.57 28.37 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.786 0.291 . . . . 0.4 111.786 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 73.9 mt -51.54 -51.33 70.57 Favored Pre-proline 0 CA--C 1.534 0.347 0 N-CA-C 112.478 0.547 . . . . 0.56 112.478 179.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 9.8 Cg_endo -52.68 -38.24 76.39 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 122.174 1.916 . . . . 0.46 112.439 177.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -71.9 -43.07 65.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.94 -0.573 . . . . 4.22 110.952 -177.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -72.99 -42.09 63.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.56 -0.291 . . . . 1.52 110.866 -176.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.551 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 4.2 mm? -59.54 -44.88 93.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.302 -0.408 . . . . 1.58 110.498 177.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.14 73.72 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.018 0.437 . . . . 0.41 110.932 179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.02 -42.78 80.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.379 -0.828 . . . . 0.35 110.855 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -70.1 -34.59 73.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.44 110.992 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 49.8 mt-10 -57.42 -51.28 70.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.223 0.535 . . . . 0.62 110.604 178.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -67.05 -30.66 70.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.387 -0.824 . . . . 2.01 111.973 -176.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -87.04 -48.29 8.21 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.364 0.505 . . . . 0.66 112.364 -173.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.7 mmm180 -92.88 -3.67 54.18 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 113.065 0.765 . . . . 1.35 113.065 -171.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 81.49 48.74 5.78 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 119.924 -1.132 . . . . 0.5 111.73 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.453 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 74.9 t -120.52 139.08 48.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 108.829 -0.804 . . . . 0.46 108.829 -177.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -140.58 96.93 3.11 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.957 0.408 . . . . 0.84 110.471 -178.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -69.69 -16.28 63.32 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.011 -0.54 . . . . 0.9 111.647 -178.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -75.51 -33.2 53.18 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.269 -0.967 . . . . 0.89 111.413 176.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.3 m -87.74 -12.38 45.39 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.985 0.422 . . . . 1.38 110.421 177.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 62.72 29.1 16.77 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.329 -0.85 . . . . 2.7 110.701 178.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.8 p -147.61 176.24 10.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.154 -0.93 . . . . 0.8 109.481 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.566 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.2 pt20 -146.81 153.38 40.11 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.071 -0.344 . . . . 1.21 110.071 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -88.13 -9.37 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.284 -0.416 . . . . 0.84 110.921 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -94.15 157.76 15.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.962 -0.563 . . . . 1.07 110.331 -178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -74.15 -37.57 63.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.069 -0.514 . . . . 0.91 110.161 176.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 60.8 tp -168.29 125.38 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.001 -0.545 . . . . 1.0 109.978 -178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.0 p -107.95 99.86 9.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 122.085 0.945 . . . . 0.5 111.086 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.9 mt -99.27 134.59 41.9 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 114.749 -1.114 . . . . 0.73 109.222 175.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.508 ' HB3' HD11 ' A' ' 126' ' ' LEU . 78.5 mt -126.34 103.14 7.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.068 0.461 . . . . 0.37 110.022 -176.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.595 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -105.68 159.6 15.28 Favored Glycine 0 N--CA 1.446 -0.634 0 CA-C-N 115.595 -0.73 . . . . 0.34 112.61 -179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.94 33.52 70.37 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.895 -0.669 . . . . 0.4 113.352 176.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 123' ' ' LEU . 10.3 mp -79.35 147.51 32.4 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.316 0.579 . . . . 0.39 111.08 179.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -112.94 175.26 5.51 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.048 -0.978 . . . . 1.11 109.049 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -108.53 33.17 4.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.467 0.651 . . . . 0.61 109.492 177.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -69.8 107.74 3.64 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.905 -1.043 . . . . 3.0 110.415 -178.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-N 115.374 -0.83 . . . . 2.26 109.871 -179.686 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 112.177 -0.369 . . . . 9.84 112.177 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.18 -26.23 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.956 0.408 . . . . 8.62 111.047 -178.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 51.5 ttm -74.12 -8.2 55.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.433 0.635 . . . . 9.31 110.374 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.43 -0.88 89.43 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.914 -0.66 . . . . 5.55 112.768 -177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.504 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 4.1 ppp? -73.36 -13.69 61.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.867 0.333 . . . . 6.19 111.18 -178.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -103.95 92.7 4.65 Favored Pre-proline 0 C--N 1.326 -0.42 0 N-CA-C 109.756 -0.461 . . . . 2.78 109.756 175.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.504 ' HD3' ' O ' ' A' ' 5' ' ' MET . 90.1 Cg_endo -90.53 7.39 3.73 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 122.716 2.277 . . . . 1.35 113.529 -174.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.07 -43.74 73.99 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.699 0.285 . . . . 2.18 110.854 -177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.4 m -61.19 -49.37 77.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.131 0.491 . . . . 0.74 110.874 179.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.34 -37.69 88.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.622 -0.717 . . . . 0.6 111.122 -178.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 40.3 ttp180 -63.29 -43.02 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.015 -0.539 . . . . 3.56 110.65 -179.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -66.66 -38.54 87.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 3.49 110.846 -179.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.8 t80 -64.84 -44.5 89.61 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.65 -0.5 . . . . 0.51 109.65 178.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.83 -39.57 74.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.467 -0.788 . . . . 0.87 112.188 178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.4 p -98.37 -40.64 8.2 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.282 0.845 . . . . 1.51 113.282 -172.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -94.53 -44.66 7.76 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.605 0.595 . . . . 1.81 112.605 -172.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -94.29 -48.9 5.96 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.567 0.581 . . . . 0.72 112.567 -170.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.478 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -56.12 -48.56 96.59 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 112.884 0.698 . . . . 0.32 112.884 -175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.478 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 39.7 Cg_exo -61.58 -24.94 78.7 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.945 1.763 . . . . 0.37 112.558 177.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 5.1 mmp_? -72.63 -40.22 66.61 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.82 -0.437 . . . . 3.58 109.82 177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.83 -44.47 92.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.38 110.02 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.35 -35.82 80.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.897 -0.592 . . . . 0.28 111.061 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.3 tpp180 -65.68 -48.89 70.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.949 -0.569 . . . . 3.36 110.812 177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.47 -43.46 98.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.37 -176.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 72.6 mt -66.51 -48.28 81.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.082 -0.508 . . . . 1.05 111.247 -179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.79 -35.94 75.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.232 0.539 . . . . 0.42 110.935 -179.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.84 -39.74 72.79 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.395 -0.821 . . . . 0.86 110.82 177.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 64.4 tp -69.12 -34.42 75.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.794 -0.639 . . . . 1.69 110.827 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.0 mt -92.4 2.54 56.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.17 -0.468 . . . . 0.49 110.634 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.7 m120 54.04 34.94 20.96 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.5 -0.773 . . . . 1.44 111.556 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 60.14 29.67 19.21 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.449 -0.796 . . . . 1.25 112.758 178.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 32' ' ' ARG . 63.8 mtt180 -80.73 -28.94 36.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.398 0.618 . . . . 4.08 109.413 172.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -116.34 159.67 21.6 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.269 -0.878 . . . . 0.49 109.167 174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.6 t60 -105.04 135.33 46.59 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 120.74 0.305 . . . . 0.89 110.211 -176.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.9 p -111.6 146.86 36.65 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.774 0.321 . . . . 0.49 110.27 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -146.49 119.84 8.99 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.837 0.351 . . . . 1.56 110.509 -175.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 74.0 t -85.91 108.94 17.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.134 -0.484 . . . . 0.54 111.279 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.3 t -73.11 103.75 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.92 -0.77 . . . . 0.46 108.92 170.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.18 175.59 55.02 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 121.031 -0.604 . . . . 0.84 113.351 -172.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -86.22 113.16 22.01 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.866 0.365 . . . . 2.57 110.128 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -131.99 91.44 0.28 Allowed Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.849 -0.691 . . . . 2.74 111.526 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 88.63 153.26 26.53 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.68 -0.771 . . . . 2.95 111.444 -176.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -66.15 148.19 52.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.288 -0.264 . . . . 5.56 110.288 -178.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.56 20.42 61.99 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.834 -0.698 . . . . 3.24 112.301 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -125.74 88.34 54.39 Favored Pre-proline 0 C--N 1.327 -0.411 0 N-CA-C 110.367 -0.234 . . . . 4.97 110.367 -179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.51 130.55 26.96 Favored 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.485 2.123 . . . . 1.87 112.319 -177.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.4 m -72.71 137.89 46.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.031 -0.531 . . . . 0.89 109.925 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.417 ' HB3' HG22 ' A' ' 71' ' ' THR . 9.7 pt20 -155.31 150.49 26.91 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.596 0.236 . . . . 1.06 110.538 -173.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 p -112.54 119.79 61.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.537 0.684 . . . . 0.36 110.14 177.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 33.4 ptt180 -102.77 141.2 35.98 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.454 -0.794 . . . . 2.62 111.308 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.3 mt -109.81 112.56 41.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.005 -0.739 . . . . 0.42 109.005 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 43.2 t -114.46 139.04 42.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 116.301 -0.409 . . . . 0.46 109.953 -178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -103.94 101.56 26.17 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.244 -0.435 . . . . 0.93 110.46 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -80.45 48.18 2.8 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.749 2.299 . . . . 1.67 112.031 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -145.75 75.23 1.41 Allowed 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.014 -0.539 . . . . 5.54 109.633 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.34 -3.73 44.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.888 -0.597 . . . . 3.83 111.245 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -82.73 60.75 5.45 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.425 0.631 . . . . 6.04 109.437 176.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -151.03 51.04 0.85 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.836 -0.802 . . . . 6.46 108.836 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.3 t -109.87 87.88 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.456 -0.793 . . . . 5.11 110.838 -176.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 18.6 tpp180 -118.82 -5.52 10.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.994 -0.743 . . . . 5.97 108.994 172.084 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -147.27 -62.02 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.392 -0.822 . . . . 1.94 111.745 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -105.02 143.31 33.37 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.312 -0.255 . . . . 2.22 110.312 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -111.03 42.57 1.6 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.319 0.581 . . . . 1.16 110.514 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.573 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 87.8 m-70 -126.1 117.01 23.77 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.927 -0.579 . . . . 1.13 110.211 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -65.79 140.15 60.3 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.452 2.101 . . . . 1.08 111.138 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.3 tt -70.86 120.44 16.45 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.053 -0.351 . . . . 1.2 110.053 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -140.9 98.74 3.45 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-N 115.984 -0.553 . . . . 0.63 109.858 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.1 tp -111.1 132.45 54.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.645 -0.707 . . . . 0.32 111.1 -177.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.0 113.3 23.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.237 -0.438 . . . . 0.3 110.612 173.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 98.1 mt -93.71 117.52 30.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.117 -0.492 . . . . 0.28 110.628 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.581 ' OG1' ' HA2' ' A' ' 124' ' ' GLY . 41.2 p -122.2 149.7 43.29 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.832 -0.433 . . . . 0.75 109.832 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 24.1 m-90 -124.94 160.07 29.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.384 0.611 . . . . 0.32 111.624 -174.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -72.66 126.55 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.159 176.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.0 t -60.69 -26.75 67.36 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.192 -0.458 . . . . 0.74 112.231 -175.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.09 -46.34 84.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.121 0.486 . . . . 1.98 110.083 175.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 80' ' ' LEU . 2.4 mp0 -59.17 -41.05 87.48 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.551 -0.75 . . . . 1.57 110.949 175.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.5 mt -58.66 -43.8 88.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.354 -0.385 . . . . 0.4 110.797 176.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.8 tp10 -60.59 -39.72 89.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.379 0.609 . . . . 2.15 110.164 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.541 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 17.1 tpp180 -65.78 -27.87 68.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.634 -0.712 . . . . 3.96 111.152 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 68.5 mt -63.62 -18.23 63.71 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.84 0.353 . . . . 0.55 111.13 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 73.9 mtp -85.12 8.05 19.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.225 0.536 . . . . 2.59 110.308 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -114.71 159.5 20.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.581 -0.736 . . . . 2.34 109.746 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.73 -47.29 77.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.069 0.461 . . . . 0.79 110.966 177.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.423 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 6.6 m-20 -60.78 -32.11 71.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.572 -0.74 . . . . 1.76 110.651 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.541 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -75.46 -47.91 11.65 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.901 -0.666 . . . . 0.43 111.993 -175.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -55.73 -37.15 68.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.698 0.285 . . . . 0.57 111.249 174.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.72 -36.52 79.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.313 -0.403 . . . . 0.63 111.084 176.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 84' ' ' ASP . 39.9 mtm180 -72.12 -32.44 66.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.454 -0.339 . . . . 3.71 110.361 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.511 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 82.6 t80 -63.32 -43.85 96.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.287 -0.415 . . . . 0.58 110.321 178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -64.21 -38.74 92.13 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.127 0.489 . . . . 2.1 110.332 178.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 25.3 tpt180 -70.83 -29.5 65.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.617 -0.72 . . . . 4.06 110.405 -179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -73.47 -35.11 65.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.008 -0.542 . . . . 0.64 110.179 -179.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 87.3 mt -63.83 -37.67 88.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.208 -0.451 . . . . 0.48 110.158 177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -71.15 -17.5 62.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.896 -0.593 . . . . 0.44 111.579 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -103.63 -1.11 28.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.495 -0.32 . . . . 0.4 111.818 -177.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 56.7 mt -52.2 -53.45 52.31 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 112.493 0.553 . . . . 0.56 112.493 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 18.0 Cg_endo -59.58 -29.06 88.96 Favored 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 122.025 1.816 . . . . 0.46 112.464 179.442 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -74.02 -46.6 42.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.196 0.522 . . . . 4.22 110.469 -176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.44 -34.87 65.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.839 -0.619 . . . . 1.52 110.266 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.513 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 13.6 tp -59.0 -50.92 72.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.367 -0.833 . . . . 1.58 109.934 178.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.92 -31.11 72.19 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.854 -0.612 . . . . 0.41 111.26 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -65.97 -42.56 89.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.912 -0.585 . . . . 0.35 110.779 179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 16.0 m0 -69.49 -31.03 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.44 110.825 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 38.0 mt-10 -57.98 -51.46 69.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.085 0.469 . . . . 0.62 110.457 177.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -67.35 -31.19 71.29 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.421 -0.809 . . . . 2.01 111.573 -178.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -81.13 -44.95 17.15 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.398 0.518 . . . . 0.66 112.398 -175.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -100.11 1.6 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.949 0.722 . . . . 1.35 112.949 -172.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 72.21 49.89 19.19 Favored Glycine 0 C--O 1.235 0.171 0 C-N-CA 120.108 -1.044 . . . . 0.5 111.558 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.427 ' HB ' ' HA ' ' A' ' 104' ' ' GLU . 92.4 t -122.44 147.93 26.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 109.331 -0.618 . . . . 0.46 109.331 -175.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -137.71 104.43 5.3 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.529 -0.545 . . . . 0.84 109.529 174.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -69.09 -22.38 64.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.9 111.854 -176.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -76.78 -19.16 78.12 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.372 -0.918 . . . . 0.89 111.255 175.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.2 t -97.55 -18.55 18.9 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.967 0.413 . . . . 1.38 110.486 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 83.8 mtm180 61.62 25.14 15.11 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.537 -0.756 . . . . 2.7 111.756 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 12.6 p -136.56 170.1 16.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.675 -0.693 . . . . 0.8 109.372 177.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.573 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 13.9 pt20 -147.75 152.9 38.52 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.882 0.372 . . . . 1.21 110.703 -177.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.97 -10.49 50.29 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.156 0.503 . . . . 0.84 110.092 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -81.75 152.98 26.75 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.284 -0.871 . . . . 1.07 110.044 -178.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -77.91 -37.06 48.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.984 -0.553 . . . . 0.91 110.589 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 45.7 tp -169.87 126.32 0.85 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.767 -0.827 . . . . 1.0 108.767 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.6 p -116.48 95.34 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 122.12 0.962 . . . . 0.5 111.314 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 25.4 mt -108.82 105.26 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.181 -0.918 . . . . 0.73 109.03 176.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.9 mt -94.72 114.95 26.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.049 0.452 . . . . 0.37 110.985 -174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.581 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -106.97 168.75 14.49 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.742 -0.663 . . . . 0.34 112.444 177.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 69.23 29.05 72.14 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.246 -0.502 . . . . 0.4 113.69 175.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 10.2 mp -74.38 146.4 43.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.379 0.609 . . . . 0.39 111.469 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -120.77 173.46 7.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.851 -1.068 . . . . 1.11 108.612 177.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.46 41.39 1.32 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.592 0.71 . . . . 0.61 109.134 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -91.07 104.53 17.1 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 114.735 -1.12 . . . . 3.0 109.616 -177.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.77 -0.634 . . . . 2.26 110.386 -178.822 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.823 -0.511 . . . . 9.84 111.823 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.01 168.06 19.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.654 0.227 . . . . 8.62 110.592 -178.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt 61.9 33.81 17.3 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.765 0.666 . . . . 9.31 110.8 179.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.74 161.62 21.16 Favored Glycine 0 N--CA 1.448 -0.533 0 N-CA-C 111.267 -0.733 . . . . 5.55 111.267 -178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . . . . . . . . . 25.5 ptt? -98.38 113.66 25.71 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.493 0.664 . . . . 6.19 110.706 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.559 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 51.0 m -151.79 -57.17 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.575 -0.739 . . . . 2.78 110.99 179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.559 ' HD2' ' H ' ' A' ' 6' ' ' SER . 31.7 Cg_endo -63.88 -20.64 68.57 Favored 'Trans proline' 0 C--N 1.36 1.137 0 C-N-CA 121.82 1.68 . . . . 1.35 111.919 177.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.509 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 6.3 p-10 -84.94 -35.99 21.71 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.436 -0.802 . . . . 2.18 109.93 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -66.24 -40.96 90.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.296 0.57 . . . . 0.74 109.97 175.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.43 96.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.427 -0.806 . . . . 0.6 110.466 177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 14' ' ' ASP . 61.8 ttt180 -69.36 -32.18 71.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.05 -0.523 . . . . 3.56 110.537 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 8' ' ' ASP . 3.5 mmp_? -57.17 -49.6 75.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.604 -0.271 . . . . 3.49 110.871 177.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -64.81 -41.1 96.06 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.862 -0.422 . . . . 0.51 109.862 177.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.545 ' OD2' ' HA3' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -52.33 -38.79 59.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.992 -1.004 . . . . 0.87 111.87 178.321 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.8 m -99.18 -41.7 7.38 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.144 -0.48 . . . . 1.51 112.104 -172.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -88.68 -44.72 10.38 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.644 0.609 . . . . 1.81 112.644 -170.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -107.24 -36.84 6.43 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 113.157 0.799 . . . . 0.72 113.157 -167.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.477 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . . . -57.33 -48.59 97.08 Favored Pre-proline 0 CA--C 1.536 0.44 0 N-CA-C 112.966 0.728 . . . . 0.32 112.966 -176.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.477 ' HD3' ' HB3' ' A' ' 18' ' ' ALA . 47.9 Cg_exo -59.12 -26.79 83.02 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.914 1.742 . . . . 0.37 112.386 179.12 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -69.22 -40.56 77.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.068 0.461 . . . . 3.58 109.998 -178.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.472 ' O ' HG12 ' A' ' 25' ' ' ILE . 66.1 mt -69.52 -47.1 73.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.76 -0.655 . . . . 0.38 110.249 179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -45.31 92.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.802 -0.636 . . . . 0.28 112.094 -176.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -69.44 -35.85 76.06 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.519 -0.31 . . . . 3.36 110.636 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.63 -41.54 83.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.312 -0.404 . . . . 0.35 110.844 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 21' ' ' ILE . 42.6 mm -65.69 -47.94 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.075 -0.512 . . . . 1.05 110.582 -179.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.9 -42.12 93.13 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.849 -0.614 . . . . 0.42 111.061 -178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -71.41 -31.59 67.43 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.94 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 51.9 tp -70.26 -32.77 70.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.49 0.662 . . . . 1.69 109.738 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 79.4 mt -86.3 18.08 3.37 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.281 -0.872 . . . . 0.49 111.023 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 61.12 27.84 17.59 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.142 -0.481 . . . . 1.44 111.404 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 59.21 31.22 21.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.644 -0.707 . . . . 1.25 111.188 178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -97.01 -5.69 37.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.379 0.609 . . . . 4.08 110.46 176.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -128.69 151.38 49.58 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.461 -0.79 . . . . 0.49 109.712 177.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -109.53 130.64 55.49 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.467 -0.568 . . . . 0.89 109.467 -178.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.2 p -111.0 139.72 46.13 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 120.782 0.325 . . . . 0.49 110.659 -178.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -125.39 128.95 48.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.352 -0.385 . . . . 1.56 110.278 -178.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.69 103.2 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.796 -0.638 . . . . 0.54 110.535 -178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' HB ' ' CG ' ' A' ' 48' ' ' GLN . 17.1 t -93.29 87.07 2.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 0.46 109.078 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.545 ' HA3' ' OD2' ' A' ' 14' ' ' ASP . . . -96.96 -150.19 26.5 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.714 -0.755 . . . . 0.84 112.755 -174.227 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' GLY . 54.9 t80 -86.55 113.25 22.31 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.846 0.355 . . . . 2.57 110.639 -175.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -143.59 7.21 1.97 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 121.005 -0.617 . . . . 2.74 111.83 176.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 120.13 -49.96 0.85 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.973 -0.632 . . . . 2.95 111.867 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -80.37 -45.12 18.27 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.39 0.614 . . . . 5.56 109.387 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.51 ' O ' ' HA ' ' A' ' 40' ' ' TYR . . . -94.77 112.48 4.38 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 115.194 -0.912 . . . . 3.24 111.411 177.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.562 ' HB3' ' HD3' ' A' ' 46' ' ' PRO . 33.2 t60 -88.62 -48.3 0.43 Allowed Pre-proline 0 C--N 1.323 -0.568 0 C-N-CA 120.959 -0.296 . . . . 4.97 110.287 177.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 45' ' ' HIS . 9.8 Cg_endo -91.85 127.85 1.01 Allowed 'Trans proline' 0 N--CA 1.452 -0.961 0 C-N-CA 122.308 2.005 . . . . 1.87 111.012 172.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.429 HG23 ' HA2' ' A' ' 39' ' ' GLY . 17.0 m -64.87 139.16 58.73 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.774 0.321 . . . . 0.89 110.984 -178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.436 ' HB3' HG22 ' A' ' 71' ' ' THR . 11.5 pt20 -141.29 147.02 37.53 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.728 -0.471 . . . . 1.06 109.728 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.2 p -118.17 120.26 63.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 CA-C-O 121.345 0.593 . . . . 0.36 109.909 175.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.488 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 11.0 ptp180 -103.97 140.32 37.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.683 -0.69 . . . . 2.62 111.254 -179.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 24.7 mt -109.34 114.79 47.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.156 -0.929 . . . . 0.42 109.543 -179.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 45.7 t -114.9 135.84 53.48 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.992 -0.549 . . . . 0.46 110.082 -178.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 114' ' ' ARG . . . -105.88 103.34 43.79 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-N 116.282 -0.417 . . . . 0.93 111.078 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -75.63 143.91 27.65 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.377 2.052 . . . . 1.67 111.592 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 74.7 m-70 58.58 52.9 6.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 5.54 110.944 -176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -78.73 55.2 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.491 0.662 . . . . 3.83 110.047 177.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.61 178.47 4.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.1 -0.954 . . . . 6.04 110.595 -175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 66.8 t60 60.58 56.29 3.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.84 0.828 . . . . 6.46 109.133 -173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.512 HG22 ' H ' ' A' ' 61' ' ' GLY . 7.3 p -148.21 134.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.374 -0.83 . . . . 5.11 109.801 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -125.48 30.54 5.75 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.323 0.582 . . . . 5.97 110.539 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.512 ' H ' HG22 ' A' ' 59' ' ' VAL . . . -105.31 -82.59 1.58 Allowed Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.556 -0.747 . . . . 1.94 111.519 177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -104.2 141.97 35.34 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.128 -0.694 . . . . 2.22 109.128 175.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -97.49 48.76 1.03 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.987 0.422 . . . . 1.16 110.744 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.571 ' HB2' ' O ' ' A' ' 116' ' ' GLN . 94.9 m-70 -142.05 120.13 7.56 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 1.13 110.526 -178.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -65.93 147.96 85.44 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.66 2.24 . . . . 1.08 111.578 177.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.9 tt -72.82 123.9 24.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.056 0.455 . . . . 1.2 110.268 -177.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -147.14 95.06 2.5 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.326 -0.852 . . . . 0.63 108.74 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.488 ' O ' ' HA ' ' A' ' 50' ' ' ARG . 41.1 tp -115.31 133.7 55.79 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.754 -0.657 . . . . 0.32 110.583 -174.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.87 115.96 27.79 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.977 0.418 . . . . 0.3 110.616 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 79.0 mt -94.73 115.58 27.7 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.753 -0.658 . . . . 0.28 110.048 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 82.3 p -117.75 149.44 40.78 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.648 -0.501 . . . . 0.75 109.648 177.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -127.97 148.31 50.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.963 0.411 . . . . 0.32 110.484 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -59.35 131.44 50.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.403 -0.817 . . . . 1.02 110.748 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 24.3 m -58.47 -27.97 64.9 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.669 -0.696 . . . . 0.74 111.488 -177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -62.58 -46.48 88.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.972 0.415 . . . . 1.98 110.203 176.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.528 ' HG3' ' HA ' ' A' ' 127' ' ' ASP . 35.0 mm-40 -58.45 -46.41 86.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.748 -0.66 . . . . 1.57 110.63 174.659 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -58.36 -42.14 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.794 -0.639 . . . . 0.4 110.797 178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.878 -0.601 . . . . 2.15 110.208 177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.565 ' O ' ' HA3' ' A' ' 85' ' ' GLY . 30.7 tpt180 -64.93 -29.83 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.372 -0.831 . . . . 3.96 111.146 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 76' ' ' GLU . 66.1 mt -67.12 -15.59 63.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.562 -0.29 . . . . 0.55 111.585 -175.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 94.7 mmm -85.59 -9.51 57.21 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.01 0.433 . . . . 2.59 110.477 -179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -96.77 168.38 10.54 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.017 -0.538 . . . . 2.34 110.548 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.82 -47.6 82.15 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.955 0.407 . . . . 0.79 111.512 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -68.67 -14.63 63.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.32 0.581 . . . . 1.76 110.675 179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.565 ' HA3' ' O ' ' A' ' 79' ' ' ARG . . . -74.74 -47.34 15.13 Favored Glycine 0 N--CA 1.441 -0.98 0 N-CA-C 111.425 -0.67 . . . . 0.43 111.425 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -56.03 -36.46 68.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.683 0.278 . . . . 0.57 111.032 174.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.76 78.48 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.274 -0.421 . . . . 0.63 111.208 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -71.85 -40.21 69.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 3.71 110.604 177.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.583 ' O ' ' HG ' ' A' ' 93' ' ' LEU . 62.5 t80 -62.73 -46.03 89.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.58 110.756 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.57 -40.52 97.18 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.95 0.405 . . . . 2.1 110.601 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -67.58 -31.22 71.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 4.06 110.577 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -76.73 -32.36 57.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.128 -0.487 . . . . 0.64 110.507 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 89' ' ' PHE . 90.3 mt -62.98 -44.71 95.28 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.079 0.466 . . . . 0.48 110.247 178.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -67.44 -21.32 65.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.045 -0.525 . . . . 0.44 111.044 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.73 -3.55 45.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.202 -0.454 . . . . 0.4 111.948 -175.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.499 ' N ' ' HD2' ' A' ' 97' ' ' PRO . 93.9 mt -50.94 -51.76 64.16 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.404 0.52 . . . . 0.56 112.404 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.499 ' HD2' ' N ' ' A' ' 96' ' ' LEU . 25.8 Cg_endo -61.42 -28.36 83.79 Favored 'Trans proline' 0 C--N 1.355 0.879 0 C-N-CA 122.097 1.864 . . . . 0.46 112.836 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -78.04 -42.44 32.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.113 0.482 . . . . 4.22 110.462 -177.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -73.74 -33.4 64.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.908 -0.587 . . . . 1.52 110.14 -179.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.524 ' O ' ' HG3' ' A' ' 104' ' ' GLU . 18.0 tp -59.38 -48.87 80.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.66 -0.7 . . . . 1.58 109.765 176.398 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.57 75.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.801 -0.636 . . . . 0.41 111.013 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.06 -46.75 82.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.229 -0.442 . . . . 0.35 110.708 178.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -65.61 -32.97 74.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.346 -0.388 . . . . 0.44 110.953 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 100' ' ' LEU . 40.3 mt-10 -62.37 -51.71 66.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.165 0.507 . . . . 0.62 110.404 176.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.74 -39.03 80.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 2.01 111.553 -174.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -89.65 -43.12 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.718 0.636 . . . . 0.66 112.718 -173.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.5 mmm180 -93.96 -1.66 54.31 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.937 0.717 . . . . 1.35 112.937 -170.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 69.77 45.08 59.95 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 120.238 -0.982 . . . . 0.5 112.018 178.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 84.6 t -120.29 137.57 53.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.736 -0.839 . . . . 0.46 108.736 -178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -125.87 112.3 15.84 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.44 -0.504 . . . . 0.84 110.643 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -84.75 -1.22 56.0 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.044 -0.526 . . . . 0.9 111.906 -176.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -81.35 -58.81 2.5 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.491 -0.861 . . . . 0.89 111.412 176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 14.0 t -85.3 -7.23 59.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.051 0.453 . . . . 1.38 110.257 178.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.42 ' HB3' ' CB ' ' A' ' 53' ' ' ALA . 58.3 mtm180 65.88 46.35 2.29 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 114.951 -1.022 . . . . 2.7 111.523 174.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.463 HG21 HG21 ' A' ' 59' ' ' VAL . 19.3 p -132.92 165.65 24.17 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.784 -0.643 . . . . 0.8 110.545 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.571 ' O ' ' HB2' ' A' ' 64' ' ' HIS . 14.1 pt20 -144.88 157.2 44.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.69 0.281 . . . . 1.21 110.514 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -91.86 17.93 8.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.381 -0.372 . . . . 0.84 111.511 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -130.14 157.0 43.63 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 1.07 110.644 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -72.72 -59.66 2.61 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.244 -0.65 . . . . 0.91 109.244 172.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 34.9 tp -126.4 128.71 47.45 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.629 -0.714 . . . . 1.0 109.727 174.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 5.9 p -121.01 104.64 15.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 121.882 0.848 . . . . 0.5 110.884 177.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 33.4 mt -108.87 111.73 23.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.283 -0.871 . . . . 0.73 109.295 178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 68' ' ' LEU . 83.1 mt -91.56 114.37 26.88 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.744 0.307 . . . . 0.37 110.467 -177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.469 ' HA2' ' OG1' ' A' ' 71' ' ' THR . . . -115.63 164.57 12.17 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.036 -0.602 . . . . 0.34 112.308 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 77.11 20.68 75.23 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.88 -0.676 . . . . 0.4 113.175 178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.527 ' HB2' ' O ' ' A' ' 71' ' ' THR . 11.0 mp -76.55 148.1 37.29 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.294 0.569 . . . . 0.39 111.071 178.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . 0.528 ' HA ' ' HG3' ' A' ' 76' ' ' GLU . 12.5 m-20 -127.11 168.78 14.17 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.25 -0.886 . . . . 1.11 108.88 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -96.89 39.32 1.18 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.424 0.63 . . . . 0.61 110.361 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -93.48 109.6 21.19 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.082 -0.963 . . . . 3.0 109.255 175.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.497 -0.763 . . . . 2.26 110.598 -179.198 . . . . . . . . 0 0 . 1 stop_ save_